3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole

C21H16Cl2N2 — CID 561652

IUPAC3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
InChIKeyNTHVRFBJCARCTA-UHFFFAOYSA-N
MW367.28 g/mol
LogP6.35
Rot. Bonds3

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

3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 561652) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID561652
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
InChIKeyNTHVRFBJCARCTA-UHFFFAOYSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(4-chlorophenyl)-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

1H-Pyrazole, 4,5-dihydro-1,3,5-triphenyl-
CID 95937
3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
CID 101167
3-(4-Chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 620572
1-benzyl-7-chloro-N-propylquinolin-4-imine;hydrochloride
CID 9884639
[7-Chloro-1-(4-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298968
5-(3,4-Dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 71524960
5-(3,4-Dichlorophenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525009
4-(4,5-Dihydro-1,3-diphenyl-1H-pyrazol-5-yl)-N,N-dimethylbenzenamine
CID 2729182
2-Pyrazoline, 5-(p-chloro-phenyl)-1,3-diphenyl-
CID 248777
4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dihydro-pyrazol-1-yl]-benzene-sulfonamide (10d)
CID 126842558
CID 263125
CID 263125
4-[3-(4-Chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
CID 14199395

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (CID 561652) is 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is NTHVRFBJCARCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 367.28 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 561652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).