2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid

C12H11ClN2O2 — CID 82297625

IUPAC2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O2/c1-8-5-11(12(16)17)15(14-8)7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyQWKJFJMYGXBWJU-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.59
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid

2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 82297625) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID82297625
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O2/c1-8-5-11(12(16)17)15(14-8)7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyQWKJFJMYGXBWJU-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methyl]-3-nitropyrazole-5-carboxylic acid
CID 53396775
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479074
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 19558445
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 56769199
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
1-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2-ethylsulfonylethyl)urea
CID 74234130

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 82297625) is 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is QWKJFJMYGXBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-5-11(12(16)17)15(14-8)7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid?
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82297625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).