cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C21H22N2O2 — CID 95761896

IUPACcyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESO=C(OC1CCCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c24-21(25-18-13-7-8-14-18)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t20-/m1/s1
InChIKeyWLEAJXAGTUAKPC-HXUWFJFHSA-N
MW334.42 g/mol
LogP4.48
Rot. Bonds4

About cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 95761896) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID95761896
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namecyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESO=C(OC1CCCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c24-21(25-18-13-7-8-14-18)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t20-/m1/s1
InChIKeyWLEAJXAGTUAKPC-HXUWFJFHSA-N
XLogP4.48
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate 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 cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 95761896) is cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is O=C(OC1CCCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is WLEAJXAGTUAKPC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(25-18-13-7-8-14-18)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t20-/m1/s1.
What are the key properties of cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 95761896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).