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

C10H6ClF3N2 — CID 84803212

IUPAC1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C10H6ClF3N2/c11-8-2-1-3-9(4-8)16-6-7(5-15-16)10(12,13)14/h1-6H
InChIKeyOTVYGYDLRRTKNX-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.54
Rot. Bonds1

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

1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 84803212) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
PubChem CID84803212
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C10H6ClF3N2/c11-8-2-1-3-9(4-8)16-6-7(5-15-16)10(12,13)14/h1-6H
InChIKeyOTVYGYDLRRTKNX-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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Related Compounds

4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
CID 174706601
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
CID 130252820
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole (CID 84803212) is 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole is FC(F)(F)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is OTVYGYDLRRTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-8-2-1-3-9(4-8)16-6-7(5-15-16)10(12,13)14/h1-6H.
What are the key properties of 1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole?
1-(3-chlorophenyl)-4-(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-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 84803212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).