5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid

C14H15ClN2O4 — CID 136928657

IUPAC5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1c(C)c(Cl)c(C)c(-c2cc(C(=O)O)nn2C)c1O
InChIInChI=1S/C14H15ClN2O4/c1-6-10(9-5-8(14(19)20)16-17(9)3)12(18)13(21-4)7(2)11(6)15/h5,18H,1-4H3,(H,19,20)
InChIKeyUVZULAVPDCWCIW-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.77
Rot. Bonds3

About 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid

5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136928657) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136928657
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1c(C)c(Cl)c(C)c(-c2cc(C(=O)O)nn2C)c1O
InChIInChI=1S/C14H15ClN2O4/c1-6-10(9-5-8(14(19)20)16-17(9)3)12(18)13(21-4)7(2)11(6)15/h5,18H,1-4H3,(H,19,20)
InChIKeyUVZULAVPDCWCIW-UHFFFAOYSA-N
XLogP2.77
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-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

5-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469002
5-(6-fluoro-2-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414677
5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117420559
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(6-bromo-2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136995194
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(5-chloro-3-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992126
5-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117474692
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992118
5-(4-chloro-3-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117458112
5-(3-chloro-4-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117493585
5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117475284

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 136928657) is 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid is COc1c(C)c(Cl)c(C)c(-c2cc(C(=O)O)nn2C)c1O.
What is the InChIKey of 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is UVZULAVPDCWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-6-10(9-5-8(14(19)20)16-17(9)3)12(18)13(21-4)7(2)11(6)15/h5,18H,1-4H3,(H,19,20).
What are the key properties of 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 310.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136928657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).