3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid

C12H11N3O3 — CID 727174

IUPAC3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCn1ccc(C(=O)Nc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)
InChIKeyCGFLTCVMZJDNKM-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.37
Rot. Bonds3

About 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid

3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid (PubChem CID 727174) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
PubChem CID727174
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCn1ccc(C(=O)Nc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)
InChIKeyCGFLTCVMZJDNKM-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
2-{[(1-Methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoic acid
CID 558222
3-(1H-pyrazol-1-yl)benzoic acid
CID 2795546
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 3239547
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
methyl 3-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 1223950
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 994072
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 2167889
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 7537625

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid (CID 727174) is 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid is Cn1ccc(C(=O)Nc2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid?
The InChIKey is CGFLTCVMZJDNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid?
3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid has a molecular weight of 245.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 727174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).