2-methyl-6-pyrazol-1-ylbenzoic acid

C11H10N2O2 — CID 84670599

IUPAC2-methyl-6-pyrazol-1-ylbenzoic acid
SMILESCc1cccc(-n2cccn2)c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-8-4-2-5-9(10(8)11(14)15)13-7-3-6-12-13/h2-7H,1H3,(H,14,15)
InChIKeyFGYXTNWASHGUIM-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-6-pyrazol-1-ylbenzoic acid

2-methyl-6-pyrazol-1-ylbenzoic acid (PubChem CID 84670599) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-6-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-methyl-6-pyrazol-1-ylbenzoic acid
PubChem CID84670599
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-methyl-6-pyrazol-1-ylbenzoic acid
SMILESCc1cccc(-n2cccn2)c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-8-4-2-5-9(10(8)11(14)15)13-7-3-6-12-13/h2-7H,1H3,(H,14,15)
InChIKeyFGYXTNWASHGUIM-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

2-Pyrazolylbenzoic acid
CID 4738383
5-Methyl-1-phenylpyrazole-4-carboxylic acid
CID 145221
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
5-Cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 22267908
1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2513400
4-(1H-pyrazol-1-yl)benzoic acid
CID 736527
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
5-Cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 157010570
3-[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic Acid
CID 1486675
5-cyclopropyl-1-[3-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 129024671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrazol-1-ylbenzoic acid?
The IUPAC name of 2-methyl-6-pyrazol-1-ylbenzoic acid (CID 84670599) is 2-methyl-6-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 2-methyl-6-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 2-methyl-6-pyrazol-1-ylbenzoic acid is Cc1cccc(-n2cccn2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-pyrazol-1-ylbenzoic acid?
The InChIKey is FGYXTNWASHGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-4-2-5-9(10(8)11(14)15)13-7-3-6-12-13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-methyl-6-pyrazol-1-ylbenzoic acid?
2-methyl-6-pyrazol-1-ylbenzoic 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 2-methyl-6-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 84670599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).