Chemical Properties of 1H-Pyrazole, 1,3-dimethyl- (CAS 694-48-4)

InChI

InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3

InChI Key

NODLZCJDRXTSJO-UHFFFAOYSA-N

Formula

C5H8N2

SMILES

Cc1ccn(C)n1

Molecular Weight¹

96.13

CAS

694-48-4

Other Names

• Pyrazole, 1,3-dimethyl-
• 1,3-Dimethylpyrazole
• 2,5-Dimethylpyrazole

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	933.90	kJ/mol	NIST
BasG	902.30	kJ/mol	NIST
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	0.729		Crippen Calculated Property
McVol	81.810	ml/mol	McGowan Calculated Property
Inp	[833.00; 833.00]
Inp	833.00		NIST
Inp	833.00		NIST

Similar Compounds

Find more compounds similar to 1H-Pyrazole, 1,3-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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