4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride

C5H7ClN2O2 — CID 122236434

IUPAC4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCc1cn[nH]c1C(=O)O.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-3-2-6-7-4(3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H
InChIKeyZKLIZEYXMUUBSZ-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.84
Rot. Bonds1

About 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride

4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 122236434) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride
PubChem CID122236434
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCc1cn[nH]c1C(=O)O.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-3-2-6-7-4(3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H
InChIKeyZKLIZEYXMUUBSZ-UHFFFAOYSA-N
XLogP0.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole-5-carboxylic acid
CID 574310
5-methyl-1H-pyrazole-4-carboxylic acid
CID 557600
4-Chloro-1H-pyrazole-3-carboxylic acid
CID 589702
4-iodo-1H-pyrazole-3-carboxylic acid
CID 1205612
4-Methylpyrazole-3-carboxylic acid
CID 5324580
4-Bromo-1H-pyrazole-3-carboxylic acid
CID 1242246
ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 13405303
Methyl 4-methyl-1H-pyrazole-3-carboxylate
CID 3467807
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
1H-Pyrazole-3-carboxylic acid, 4-(hydroxymethyl)-, ethyl ester
CID 12215085
4-Formyl-1H-pyrazole-3-carboxylic acid
CID 22478146
4-amino-1H-pyrazole-3-carboxylic acid
CID 22566198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride (CID 122236434) is 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride is Cc1cn[nH]c1C(=O)O.Cl.
What is the InChIKey of 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is ZKLIZEYXMUUBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c1-3-2-6-7-4(3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H.
What are the key properties of 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 122236434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).