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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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).