5-methyl-1-phenylpyrazole-3-carboxylic acid

C11H10N2O2 — CID 698388

IUPAC5-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyJAUNWUAOFPNAKK-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-1-phenylpyrazole-3-carboxylic acid

5-methyl-1-phenylpyrazole-3-carboxylic acid (PubChem CID 698388) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methyl-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-phenylpyrazole-3-carboxylic acid
PubChem CID698388
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyJAUNWUAOFPNAKK-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
CID 82361649
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-phenylpyrazole-3-carboxylic acid (CID 698388) is 5-methyl-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-phenylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is JAUNWUAOFPNAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 5-methyl-1-phenylpyrazole-3-carboxylic acid?
5-methyl-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).