3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid

C14H7ClN2O4 — CID 117487490

IUPAC3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c3ccoc3c(Cl)c3ccoc23)n[nH]1
InChIInChI=1S/C14H7ClN2O4/c15-11-7-2-4-20-12(7)10(6-1-3-21-13(6)11)8-5-9(14(18)19)17-16-8/h1-5H,(H,16,17)(H,18,19)
InChIKeyMEFWNOVDKLDJKW-UHFFFAOYSA-N
MW302.67 g/mol
LogP3.92
Rot. Bonds2

About 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid

3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117487490) has the molecular formula C14H7ClN2O4 and a molecular weight of 302.67 g/mol. Its IUPAC name is 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117487490
Molecular FormulaC14H7ClN2O4
Molecular Weight302.67 g/mol
Exact Mass302.01
IUPAC Name3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c3ccoc3c(Cl)c3ccoc23)n[nH]1
InChIInChI=1S/C14H7ClN2O4/c15-11-7-2-4-20-12(7)10(6-1-3-21-13(6)11)8-5-9(14(18)19)17-16-8/h1-5H,(H,16,17)(H,18,19)
InChIKeyMEFWNOVDKLDJKW-UHFFFAOYSA-N
XLogP3.92
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-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

3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(3,6-dichloro-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117439401
3-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117443210
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991919
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111306
3-(6-chloro-5-hydroxy-1,3-benzodioxol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 136931040
3-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117475203
3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111364
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136932431

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid (CID 117487490) is 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2c3ccoc3c(Cl)c3ccoc23)n[nH]1.
What is the InChIKey of 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is MEFWNOVDKLDJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O4/c15-11-7-2-4-20-12(7)10(6-1-3-21-13(6)11)8-5-9(14(18)19)17-16-8/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid?
3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 302.67 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).