3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

C12H11ClN2O3 — CID 117420526

IUPAC3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(C)ccc(Cl)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-7(13)10(11(6)18-2)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyTVNHBLHWXKTSNH-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.75
Rot. Bonds3

About 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117420526) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117420526
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(C)ccc(Cl)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-7(13)10(11(6)18-2)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyTVNHBLHWXKTSNH-UHFFFAOYSA-N
XLogP2.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-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

3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117458093
3-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117454126
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825
3-(3,6-dichloro-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117439401
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136992111
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991919

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117420526) is 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is COc1c(C)ccc(Cl)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is TVNHBLHWXKTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-3-4-7(13)10(11(6)18-2)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117420526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).