2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid

C18H15N3O3 — CID 108804246

IUPAC2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1c(C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-12-15(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-14(16)18(23)24/h2-11H,1H3,(H,20,22)(H,23,24)
InChIKeyJIGRYAPCXJKWSY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.13
Rot. Bonds4

About 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid

2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 108804246) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
PubChem CID108804246
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1c(C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-12-15(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-14(16)18(23)24/h2-11H,1H3,(H,20,22)(H,23,24)
InChIKeyJIGRYAPCXJKWSY-UHFFFAOYSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 37079580
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 108741734
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid (CID 108804246) is 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid is Cc1c(C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is JIGRYAPCXJKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-15(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-14(16)18(23)24/h2-11H,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid?
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 321.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 108804246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).