5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid

C9H7ClN2O3 — CID 580504

IUPAC5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyFTDBLLSABPDLMJ-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.88
Rot. Bonds3

About 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid

5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 580504) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID580504
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyFTDBLLSABPDLMJ-UHFFFAOYSA-N
XLogP1.88
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloropyrazol-1-yl)methyl]furan-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

Methyl 5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carboxylate
CID 914296
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
CID 658387
5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
CID 777837
methyl 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
CID 674802
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
[5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-yl]-(4-methyl-piperazin-1-yl)-methanone
CID 24792477
5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 914237
5-(5-Methyl-3-trifluoromethyl-pyrazol-1-ylmethyl)-furan-2-carboxylic acid
CID 921662
5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid
CID 736773
5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-2-furancarboxylic acid
CID 3151588
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 177680109
1-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazine
CID 1084312

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid (CID 580504) is 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cc(Cl)cn2)o1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is FTDBLLSABPDLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid?
5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 226.62 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 580504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).