4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid

C13H14N4O3 — CID 108813242

IUPAC4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
SMILESCc1cc(NC(=O)Nc2ccc(C(=O)O)cc2)nn1C
InChIInChI=1S/C13H14N4O3/c1-8-7-11(16-17(8)2)15-13(20)14-10-5-3-9(4-6-10)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyRGMYPBHFXIYFEF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.07
Rot. Bonds3

About 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid

4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid (PubChem CID 108813242) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
PubChem CID108813242
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
SMILESCc1cc(NC(=O)Nc2ccc(C(=O)O)cc2)nn1C
InChIInChI=1S/C13H14N4O3/c1-8-7-11(16-17(8)2)15-13(20)14-10-5-3-9(4-6-10)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyRGMYPBHFXIYFEF-UHFFFAOYSA-N
XLogP2.07
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
(1S,2R,3R,4S)-3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714334
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
CID 90833428
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid (CID 108813242) is 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid is Cc1cc(NC(=O)Nc2ccc(C(=O)O)cc2)nn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid?
The InChIKey is RGMYPBHFXIYFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-7-11(16-17(8)2)15-13(20)14-10-5-3-9(4-6-10)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,14,15,16,20).
What are the key properties of 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid?
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 108813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).