Chemical Properties of Pyrolan (CAS 87-47-8)

InChI

InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3

InChI Key

GEDIWDLJKRKBFT-UHFFFAOYSA-N

Formula

C13H15N3O2

SMILES

Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1

Molecular Weight¹

245.28

CAS

87-47-8

Other Names

1-Fenyl-3-methyl-5-pyrazolylester kyseliny dimethylkarbaminove
1-Phenyl-3-methyl-5-pyrazolyl N,N-dimethyl carbamate
3-Methyl-1-phenyl-1H-pyrazol-5-yl dimethylcarbamate
3-Methyl-1-phenyl-5-pyrazolyl dimethyl carbamate
3-Methyl-1-phenylpyrazol-5-yl dimethyl carbamate
Carbamic acid, dimethyl-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
Carbamic acid, dimethyl-, 3-methyl-1-phenylpyrazol-5-yl ester
Carbamic acid, dimethyl-, 5-methyl-2-phenyl-pyrazol-3-yl ester
Dimethyl 5-(3-methyl-1-phenylpyrazolyl) carbamate
Dimethylcarbamic acid 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
Dimethylcarbamic acid, 3-methyl-1-phenylpyrazol-5-yl ester
ENT 17,588
G 22008
Geigy G-22008
NSC 404297
OMS 20
Pyralan
Pyrazol-5-ol, 3-methyl-1-phenyl-, dimethyl carbamate
Pyrazol-5-ol, 3-methyl-1-phenyl-, dimethyl carbamate (ester)

Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	[-2.09; -2.09]
log₁₀WS	-2.09		Aq. Sol...
log₁₀WS	-2.09		Estimat...
logP_oct/wat	2.241		Crippen Calculated Property
McVol	188.190	ml/mol	McGowan Calculated Property
T_fus	325.17 ± 0.20	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	21.39	kJ/mol	324.30	NIST

Similar Compounds

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