5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

C12H11ClN2O3 — CID 117420553

IUPAC5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C12H11ClN2O3/c1-15-11(6-10(14-15)12(16)17)8-5-7(18-2)3-4-9(8)13/h3-6H,1-2H3,(H,16,17)
InChIKeySVJWQNDCDLBBAS-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.45
Rot. Bonds3

About 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117420553) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117420553
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C12H11ClN2O3/c1-15-11(6-10(14-15)12(16)17)8-5-7(18-2)3-4-9(8)13/h3-6H,1-2H3,(H,16,17)
InChIKeySVJWQNDCDLBBAS-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-5-methoxyphenyl)-1-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-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
1-[[5-Chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11418874
Sodium 1-({5-chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 23696344
1-[[2-[(2,4-Dichlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11257814
1-[[2-[(2,4-Dichlorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11281276
1-[(5-Chloro-2-{[(2,4-difluorophenyl)methyl]oxy}phenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 11383800
Sodium 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethyl]-5-methylpyrazole-3-carboxylate
CID 44448639
Sodium 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
CID 44454965
Ethyl 3-(4-chlorophenyl)-1-(2-hydroxy-3-phenoxypropyl)pyrazole-5-carboxylate
CID 24767141
Ethyl 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-phenylpyrazole-5-carboxylate
CID 44420125
Ethyl1-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylate
CID 44420145
1H-Pyrazole-5-carboxylic acid, 3-(3-chlorophenyl)-1-methyl-
CID 163615

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 117420553) is 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is COc1ccc(Cl)c(-c2cc(C(=O)O)nn2C)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is SVJWQNDCDLBBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15-11(6-10(14-15)12(16)17)8-5-7(18-2)3-4-9(8)13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117420553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).