2-(4-chloro-3-methylpyrazol-1-yl)acetic acid

C6H7ClN2O2 — CID 3268477

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)cc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-4-5(7)2-9(8-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyGKOXLQBPFJJJGU-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.93
Rot. Bonds2

About 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid

2-(4-chloro-3-methylpyrazol-1-yl)acetic acid (PubChem CID 3268477) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)acetic acid
PubChem CID3268477
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)cc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-4-5(7)2-9(8-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyGKOXLQBPFJJJGU-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 3405384
1H-Pyrazole-1-acetic acid, 4-bromo-3-methyl-
CID 4074139
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
2-(4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 19576709
2-(4-iodo-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 66509225
2-(4-iodo-5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 66509236
2-(3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 119057094
4-Chloro-3-methyl-1H-pyrazole-1-propanoic acid
CID 7018410
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 118104929
4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
CID 7018414
Methyl 3-(4-chloro-3-methylpyrazol-1-yl)propionate
CID 64452773

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid (CID 3268477) is 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid is Cc1nn(CC(=O)O)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid?
The InChIKey is GKOXLQBPFJJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-4-5(7)2-9(8-4)3-6(10)11/h2H,3H2,1H3,(H,10,11).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid?
2-(4-chloro-3-methylpyrazol-1-yl)acetic acid has a molecular weight of 174.59 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 3268477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).