3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

C10H6ClF3N2 — CID 732508

IUPAC3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H6ClF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyYEWZHKXOYAEAAS-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.75
Rot. Bonds1

About 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 732508) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID732508
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H6ClF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyYEWZHKXOYAEAAS-UHFFFAOYSA-N
XLogP3.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
3-(4-chlorophenyl)-1H-pyrazole
CID 714291
4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
3-Amino-5-(4-chlorophenyl)pyrazole
CID 2735305
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
Zinc00434359
CID 869251
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 732508) is 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is YEWZHKXOYAEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 246.62 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 732508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).