1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid

C12H12N4O3 — CID 25248015

IUPAC1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C12H12N4O3/c1-16-7-9(12(18)19)10(15-16)11(17)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyOLPVFDYLZVMORM-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.44
Rot. Bonds4

About 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid

1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid (PubChem CID 25248015) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
PubChem CID25248015
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C12H12N4O3/c1-16-7-9(12(18)19)10(15-16)11(17)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyOLPVFDYLZVMORM-UHFFFAOYSA-N
XLogP0.44
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid (CID 25248015) is 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The InChIKey is OLPVFDYLZVMORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-16-7-9(12(18)19)10(15-16)11(17)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 25248015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).