Chemical Properties of Fomepizole (CAS 7554-65-6)

InChI

InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

InChI Key

RIKMMFOAQPJVMX-UHFFFAOYSA-N

Formula

C4H6N2

SMILES

Cc1cn[nH]c1

Molecular Weight¹

82.10

CAS

7554-65-6

Other Names

• 1H-Pyrazole, 4-methyl-
• Pyrazole, 4-methyl-
• 4-Methylpyrazol
• 4-Methylpyrazole
• 4-Methyl-1H-pyrazole
• 4-Mp

• 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.
• I : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	906.80	kJ/mol	NIST
BasG	873.40	kJ/mol	NIST
log10WS	-0.93		Crippen Calculated Property
logPoct/wat	0.236		Crippen Calculated Property
McVol	67.720	ml/mol	McGowan Calculated Property
Inp	[941.00; 964.00]
Inp	964.00		NIST
Inp	941.00		NIST
I	1929.00		NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[372.70; 477.70]	K	[0.80; 97.30]
Tboilr	372.70	K	0.80	NIST
Tboilr	477.70	K	97.30	NIST

Similar Compounds

Find more compounds similar to Fomepizole.

Sources

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

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