3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

C14H11N3O3 — CID 43324311

IUPAC3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)o1
InChIInChI=1S/C14H11N3O3/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19)
InChIKeyAEGPWWBVYOOSAM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 43324311) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID43324311
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)o1
InChIInChI=1S/C14H11N3O3/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19)
InChIKeyAEGPWWBVYOOSAM-UHFFFAOYSA-N
XLogP2.53
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324323
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55849955
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
3-(5-methylfuran-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 43145858
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate
CID 34843851
3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 55803900
4-hydroxy-1-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251441
N-(2-hydroxyethyl)-N-methyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 110878130
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 43324311) is 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is Cc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is AEGPWWBVYOOSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).