2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid

C17H16N4O2 — CID 22320224

IUPAC2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid
SMILESCc1cccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)n1
InChIInChI=1S/C17H16N4O2/c1-11-6-5-9-15(18-11)21-16(10-12(2)20-21)19-14-8-4-3-7-13(14)17(22)23/h3-10,19H,1-2H3,(H,22,23)
InChIKeyRRNAGZVMYGZEKQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.33
Rot. Bonds4

About 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid

2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid (PubChem CID 22320224) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid
PubChem CID22320224
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid
SMILESCc1cccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)n1
InChIInChI=1S/C17H16N4O2/c1-11-6-5-9-15(18-11)21-16(10-12(2)20-21)19-14-8-4-3-7-13(14)17(22)23/h3-10,19H,1-2H3,(H,22,23)
InChIKeyRRNAGZVMYGZEKQ-UHFFFAOYSA-N
XLogP3.33
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid
CID 67171523
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-[[3-tert-butyl-1-(2-ethylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276574
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 142753634
methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
2-[[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194948
2-[[6-(3,5-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194958
2-[[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194892
2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide
CID 69277803

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid?
The IUPAC name of 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid (CID 22320224) is 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid?
The canonical SMILES for 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid is Cc1cccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid?
The InChIKey is RRNAGZVMYGZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-6-5-9-15(18-11)21-16(10-12(2)20-21)19-14-8-4-3-7-13(14)17(22)23/h3-10,19H,1-2H3,(H,22,23).
What are the key properties of 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid?
2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]amino]benzoic acid is sourced from PubChem (CID 22320224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).