4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole

C16H10ClF3N2 — CID 1479198

IUPAC4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C16H10ClF3N2/c17-14-5-1-3-11(7-14)12-9-21-22(10-12)15-6-2-4-13(8-15)16(18,19)20/h1-10H
InChIKeyKRWRFNGEICRDRI-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.21
Rot. Bonds2

About 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole

4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 1479198) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID1479198
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C16H10ClF3N2/c17-14-5-1-3-11(7-14)12-9-21-22(10-12)15-6-2-4-13(8-15)16(18,19)20/h1-10H
InChIKeyKRWRFNGEICRDRI-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
6-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidine-2,4-diamine
CID 167877515
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
CID 167899707
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
CID 169270982
3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine
CID 103294325
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876
CID 68547080
CID 68547080
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 1479198) is 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1cccc(-n2cc(-c3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is KRWRFNGEICRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-14-5-1-3-11(7-14)12-9-21-22(10-12)15-6-2-4-13(8-15)16(18,19)20/h1-10H.
What are the key properties of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 322.72 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 1479198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).