2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid

C19H18FN3O2 — CID 67171523

IUPAC2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid
SMILESCc1cc(Nc2c(C)cccc2C(=O)O)n(-c2cccc(F)c2C)n1
InChIInChI=1S/C19H18FN3O2/c1-11-6-4-7-14(19(24)25)18(11)21-17-10-12(2)22-23(17)16-9-5-8-15(20)13(16)3/h4-10,21H,1-3H3,(H,24,25)
InChIKeyQFGXHKWVIPYIKU-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.38
Rot. Bonds4

About 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid

2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid (PubChem CID 67171523) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid
PubChem CID67171523
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid
SMILESCc1cc(Nc2c(C)cccc2C(=O)O)n(-c2cccc(F)c2C)n1
InChIInChI=1S/C19H18FN3O2/c1-11-6-4-7-14(19(24)25)18(11)21-17-10-12(2)22-23(17)16-9-5-8-15(20)13(16)3/h4-10,21H,1-3H3,(H,24,25)
InChIKeyQFGXHKWVIPYIKU-UHFFFAOYSA-N
XLogP4.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-fluoro-2-methylphenyl)-4-(8-fluoroquinoxalin-6-yl)-3-methylpyrazol-5-yl]amino]-3-methylbenzoic acid
CID 67173683
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid
CID 22320224
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
2-[[1-(2,6-dimethylphenyl)-3-(3,3,3-trifluoropropyl)pyrazol-5-yl]amino]-3-methoxybenzoic acid
CID 151391979
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
CID 11222956
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-bromo-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 63679280

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid?
The IUPAC name of 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid (CID 67171523) is 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid is Cc1cc(Nc2c(C)cccc2C(=O)O)n(-c2cccc(F)c2C)n1.
What is the InChIKey of 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid?
The InChIKey is QFGXHKWVIPYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-11-6-4-7-14(19(24)25)18(11)21-17-10-12(2)22-23(17)16-9-5-8-15(20)13(16)3/h4-10,21H,1-3H3,(H,24,25).
What are the key properties of 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid?
2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid has a molecular weight of 339.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 67171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).