3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid

C13H9N5O2 — CID 43531851

IUPAC3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncccn2)nc1-c1cccnc1
InChIInChI=1S/C13H9N5O2/c19-12(20)10-8-18(13-15-5-2-6-16-13)17-11(10)9-3-1-4-14-7-9/h1-8H,(H,19,20)
InChIKeyKSBXFQQKLMBMBT-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.42
Rot. Bonds3

About 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid

3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid (PubChem CID 43531851) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
PubChem CID43531851
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncccn2)nc1-c1cccnc1
InChIInChI=1S/C13H9N5O2/c19-12(20)10-8-18(13-15-5-2-6-16-13)17-11(10)9-3-1-4-14-7-9/h1-8H,(H,19,20)
InChIKeyKSBXFQQKLMBMBT-UHFFFAOYSA-N
XLogP1.42
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
1-pyrimidin-2-yl-3-thiophen-3-ylpyrazole-4-carboxylic acid
CID 55032713
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 65197494
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid (CID 43531851) is 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ncccn2)nc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is KSBXFQQKLMBMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-12(20)10-8-18(13-15-5-2-6-16-13)17-11(10)9-3-1-4-14-7-9/h1-8H,(H,19,20).
What are the key properties of 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43531851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).