5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole

C19H19Cl3N2 — CID 72696261

IUPAC5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H19Cl3N2/c1-19(2,3)18-11-17(12-4-9-15(21)16(22)10-12)24(23-18)14-7-5-13(20)6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyICHLVCMASGCLQP-UHFFFAOYSA-N
MW381.73 g/mol
LogP7.00
Rot. Bonds2

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

5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole (PubChem CID 72696261) has the molecular formula C19H19Cl3N2 and a molecular weight of 381.73 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole
PubChem CID72696261
Molecular FormulaC19H19Cl3N2
Molecular Weight381.73 g/mol
Exact Mass380.06
IUPAC Name5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H19Cl3N2/c1-19(2,3)18-11-17(12-4-9-15(21)16(22)10-12)24(23-18)14-7-5-13(20)6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyICHLVCMASGCLQP-UHFFFAOYSA-N
XLogP7.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Bis(4-chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazole
CID 561652
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
5-(3,4-Dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 71524960
2-Pyrazoline, 5-(p-chloro-phenyl)-1,3-diphenyl-
CID 248777
5-Tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole
CID 72696260
2-(4-Bromophenyl)-5-tert-butyl-3-(4-chlorophenyl)-3,4-dihydropyrazole
CID 72696263
5-(4-Chlorophenyl)-3-(2,3-dichlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 137638763
3-(2,3-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 137645955
2-Pyrazoline, 3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1-(2-methylphenyl)-
CID 3065977
2-Pyrazoline, 3-(4-chlorophenyl)-1-(2,6-dichlorophenyl)-5-(3,4-dichlorophenyl)-
CID 3065978
3-(4-Chlorophenyl)-2-phenyl-3,4-dihydropyrazole-5-carbonitrile
CID 57400792

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole (CID 72696261) is 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole is CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole?
The InChIKey is ICHLVCMASGCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2/c1-19(2,3)18-11-17(12-4-9-15(21)16(22)10-12)24(23-18)14-7-5-13(20)6-8-14/h4-10,17H,11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole?
5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole has a molecular weight of 381.73 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 72696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).