1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

C16H9Cl2F3N2 — CID 10021211

IUPAC1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H
InChIKeyJINJJDHGBJMQJW-UHFFFAOYSA-N
MW357.16 g/mol
LogP5.86
Rot. Bonds2

About 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 10021211) has the molecular formula C16H9Cl2F3N2 and a molecular weight of 357.16 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID10021211
Molecular FormulaC16H9Cl2F3N2
Molecular Weight357.16 g/mol
Exact Mass356.01
IUPAC Name1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H
InChIKeyJINJJDHGBJMQJW-UHFFFAOYSA-N
XLogP5.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.16
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 9865808
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
2-chloro-4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57398385
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 42617981
Arylpyrazole, 12
CID 44143412
4-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9800211
3-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 9883653
3-(4-Chloro-phenyl)-1-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 9948569
4-[4-Chloro-5-(4-chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10296709
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[(E)-piperidinoiminomethyl]-1H-pyrazole
CID 16086925
3-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370597

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (CID 10021211) is 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JINJJDHGBJMQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H.
What are the key properties of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 357.16 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10021211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).