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

C28H23ClN2 — CID 7392937

IUPAC(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc([C@@H]2CC(c3ccc(Cc4ccccc4)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C28H23ClN2/c29-25-17-15-24(16-18-25)28-20-27(30-31(28)26-9-5-2-6-10-26)23-13-11-22(12-14-23)19-21-7-3-1-4-8-21/h1-18,28H,19-20H2/t28-/m0/s1
InChIKeyWSDVRVOTMIJNSB-NDEPHWFRSA-N
MW422.96 g/mol
LogP7.29
Rot. Bonds5

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

(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 7392937) has the molecular formula C28H23ClN2 and a molecular weight of 422.96 g/mol. Its IUPAC name is (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID7392937
Molecular FormulaC28H23ClN2
Molecular Weight422.96 g/mol
Exact Mass422.15
IUPAC Name(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc([C@@H]2CC(c3ccc(Cc4ccccc4)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C28H23ClN2/c29-25-17-15-24(16-18-25)28-20-27(30-31(28)26-9-5-2-6-10-26)23-13-11-22(12-14-23)19-21-7-3-1-4-8-21/h1-18,28H,19-20H2/t28-/m0/s1
InChIKeyWSDVRVOTMIJNSB-NDEPHWFRSA-N
XLogP7.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
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
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
5-(4-chlorophenyl)-2-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole
CID 3770049
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (CID 7392937) is (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is Clc1ccc([C@@H]2CC(c3ccc(Cc4ccccc4)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is WSDVRVOTMIJNSB-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H23ClN2/c29-25-17-15-24(16-18-25)28-20-27(30-31(28)26-9-5-2-6-10-26)23-13-11-22(12-14-23)19-21-7-3-1-4-8-21/h1-18,28H,19-20H2/t28-/m0/s1.
What are the key properties of (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 422.96 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7392937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).