1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

C10H6ClF3N2 — CID 54050324

IUPAC1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClF3N2/c11-7-1-3-8(4-2-7)16-6-5-9(15-16)10(12,13)14/h1-6H
InChIKeyLSKXKMMPHXYJLT-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.54
Rot. Bonds1

About 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 54050324) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID54050324
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClF3N2/c11-7-1-3-8(4-2-7)16-6-5-9(15-16)10(12,13)14/h1-6H
InChIKeyLSKXKMMPHXYJLT-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (CID 54050324) is 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is LSKXKMMPHXYJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-7-1-3-8(4-2-7)16-6-5-9(15-16)10(12,13)14/h1-6H.
What are the key properties of 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 246.62 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 54050324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).