5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid

C12H12N2O2 — CID 22831928

IUPAC5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2C)c1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)14-9(2)7-11(13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyANHHQJGCVBLDKI-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid

5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 22831928) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID22831928
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2C)c1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)14-9(2)7-11(13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyANHHQJGCVBLDKI-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362108
5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 23934125
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
CID 94962316
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
3-(3-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
CID 135330912
ethyl 4-[[5-methyl-1-(3-methylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110372841
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid (CID 22831928) is 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid is Cc1cccc(-n2nc(C(=O)O)cc2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is ANHHQJGCVBLDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)14-9(2)7-11(13-14)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 22831928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).