(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19ClN2 — CID 7065390

IUPAC(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H19ClN2/c1-16-7-9-17(10-8-16)21-15-22(18-11-13-19(23)14-12-18)25(24-21)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyRIEOGBAXAMAYFY-QFIPXVFZSA-N
MW346.86 g/mol
LogP6.00
Rot. Bonds3

About (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 7065390) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID7065390
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H19ClN2/c1-16-7-9-17(10-8-16)21-15-22(18-11-13-19(23)14-12-18)25(24-21)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyRIEOGBAXAMAYFY-QFIPXVFZSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole 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

(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
CID 56950413

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 7065390) is (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is RIEOGBAXAMAYFY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN2/c1-16-7-9-17(10-8-16)21-15-22(18-11-13-19(23)14-12-18)25(24-21)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3/t22-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 346.86 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7065390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).