5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid

C12H12N2O3 — CID 121212574

IUPAC5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccoc2)n[nH]c1C1CCC1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-10(7-2-1-3-7)13-14-11(9)8-4-5-17-6-8/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChIKeyLWPKLKDPHHLDCS-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.64
Rot. Bonds3

About 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid

5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 121212574) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID121212574
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccoc2)n[nH]c1C1CCC1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-10(7-2-1-3-7)13-14-11(9)8-4-5-17-6-8/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChIKeyLWPKLKDPHHLDCS-UHFFFAOYSA-N
XLogP2.64
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-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

4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432
5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212603
2-(5-cyclopentyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155737889
2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155397195
5-cyclobutyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CID 121212670
3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 69045216
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
CID 105487842
N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137312224
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid (CID 121212574) is 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(-c2ccoc2)n[nH]c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is LWPKLKDPHHLDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)9-10(7-2-1-3-7)13-14-11(9)8-4-5-17-6-8/h4-7H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid?
5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 121212574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).