3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid

C15H12N4O2 — CID 154466763

IUPAC3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C15H12N4O2/c20-15(21)14-13(4-2-6-17-14)12-8-18-19(10-12)9-11-3-1-5-16-7-11/h1-8,10H,9H2,(H,20,21)
InChIKeyDRXPFSRCNMHCKP-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.09
Rot. Bonds4

About 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid

3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 154466763) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
PubChem CID154466763
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C15H12N4O2/c20-15(21)14-13(4-2-6-17-14)12-8-18-19(10-12)9-11-3-1-5-16-7-11/h1-8,10H,9H2,(H,20,21)
InChIKeyDRXPFSRCNMHCKP-UHFFFAOYSA-N
XLogP2.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
CID 107344308
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63073046
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
CID 91064991
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid (CID 154466763) is 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1cnn(Cc2cccnc2)c1.
What is the InChIKey of 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is DRXPFSRCNMHCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)14-13(4-2-6-17-14)12-8-18-19(10-12)9-11-3-1-5-16-7-11/h1-8,10H,9H2,(H,20,21).
What are the key properties of 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154466763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).