(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

C15H12Cl2N2 — CID 129362660

IUPAC(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2/t14-/m0/s1
InChIKeyPFGKWFCAKAOYOL-AWEZNQCLSA-N
MW291.18 g/mol
LogP4.08
Rot. Bonds2

About (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 129362660) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID129362660
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2/t14-/m0/s1
InChIKeyPFGKWFCAKAOYOL-AWEZNQCLSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole 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 (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CID 129362660) is (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NNC[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is PFGKWFCAKAOYOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2/t14-/m0/s1.
What are the key properties of (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 291.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 129362660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).