1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid

C11H10N4O3 — CID 110482023

IUPAC1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)c1cccnc1
InChIInChI=1S/C11H10N4O3/c1-15-9(8(6-13-15)11(17)18)14-10(16)7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyKASUQRNNPVUBQD-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid

1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid (PubChem CID 110482023) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
PubChem CID110482023
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)c1cccnc1
InChIInChI=1S/C11H10N4O3/c1-15-9(8(6-13-15)11(17)18)14-10(16)7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyKASUQRNNPVUBQD-UHFFFAOYSA-N
XLogP0.77
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyridine-4-carboxamide
CID 79499854
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
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5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
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5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(4-acetamidophenyl)pyridine-3-carboxamide
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N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid (CID 110482023) is 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NC(=O)c1cccnc1.
What is the InChIKey of 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid?
The InChIKey is KASUQRNNPVUBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-15-9(8(6-13-15)11(17)18)14-10(16)7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid?
1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 110482023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).