4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid

C13H13N3O3 — CID 113263077

IUPAC4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2)nn1C
InChIInChI=1S/C13H13N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)
InChIKeyYVPDOFXIVDROPX-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.68
Rot. Bonds3

About 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid

4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid (PubChem CID 113263077) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
PubChem CID113263077
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2)nn1C
InChIInChI=1S/C13H13N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)
InChIKeyYVPDOFXIVDROPX-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
1,5-dimethyl-N-(phenylcarbamothioyl)pyrazole-3-carboxamide
CID 174530677
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid (CID 113263077) is 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)nn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The InChIKey is YVPDOFXIVDROPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid has a molecular weight of 259.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 113263077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).