5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole

C22H17Cl3N2 — CID 3065977

IUPAC5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl3N2/c1-14-4-2-3-5-21(14)27-22(16-8-11-18(24)19(25)12-16)13-20(26-27)15-6-9-17(23)10-7-15/h2-12,22H,13H2,1H3
InChIKeyVENATUBTBGFODT-UHFFFAOYSA-N
MW415.75 g/mol
LogP7.31
Rot. Bonds3

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

5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole (PubChem CID 3065977) has the molecular formula C22H17Cl3N2 and a molecular weight of 415.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
PubChem CID3065977
Molecular FormulaC22H17Cl3N2
Molecular Weight415.75 g/mol
Exact Mass414.05
IUPAC Name5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl3N2/c1-14-4-2-3-5-21(14)27-22(16-8-11-18(24)19(25)12-16)13-20(26-27)15-6-9-17(23)10-7-15/h2-12,22H,13H2,1H3
InChIKeyVENATUBTBGFODT-UHFFFAOYSA-N
XLogP7.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935
5-(4-chlorophenyl)-2-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole
CID 3770049
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
(3S)-2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7385749
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
(5S,10bS)-2-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 93233073

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole (CID 3065977) is 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole is Cc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is VENATUBTBGFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N2/c1-14-4-2-3-5-21(14)27-22(16-8-11-18(24)19(25)12-16)13-20(26-27)15-6-9-17(23)10-7-15/h2-12,22H,13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole?
5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 415.75 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3065977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).