5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid

C13H12N2O2 — CID 11852982

IUPAC5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1ccccc1)C2
InChIInChI=1S/C13H12N2O2/c16-13(17)12-10-6-9(7-11(10)14-15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H,16,17)
InChIKeyIARYZYADYJGHHA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.99
Rot. Bonds2

About 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid

5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 11852982) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID11852982
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1ccccc1)C2
InChIInChI=1S/C13H12N2O2/c16-13(17)12-10-6-9(7-11(10)14-15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H,16,17)
InChIKeyIARYZYADYJGHHA-UHFFFAOYSA-N
XLogP1.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (CID 11852982) is 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(c1ccccc1)C2.
What is the InChIKey of 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is IARYZYADYJGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)12-10-6-9(7-11(10)14-15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 11852982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).