1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid

C11H9FN2O2 — CID 28974076

IUPAC1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C11H9FN2O2/c1-7-6-8(12)2-3-10(7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyQUPGXFAIRJFVSK-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid

1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 28974076) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID28974076
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C11H9FN2O2/c1-7-6-8(12)2-3-10(7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyQUPGXFAIRJFVSK-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)pyrazole-3-carboxylic acid
CID 43363474
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
1-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529333
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
2-[4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520694
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620027
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole
CID 66015747

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid (CID 28974076) is 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid is Cc1cc(F)ccc1-n1ccc(C(=O)O)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is QUPGXFAIRJFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-6-8(12)2-3-10(7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid?
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 28974076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).