1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole

C16H10ClF3N2 — CID 101073728

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-9-8-14(21-22)11-4-2-1-3-5-11/h1-10H
InChIKeyDPHIHYKACVLRMZ-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.21
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole (PubChem CID 101073728) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
PubChem CID101073728
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-9-8-14(21-22)11-4-2-1-3-5-11/h1-10H
InChIKeyDPHIHYKACVLRMZ-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

Analyze 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
CID 159868733
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
CID 101073721
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
CID 66743644
4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol
CID 70894908
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248
2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
CID 58247217
1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 79506304
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5104450
N-methyl-2-(3-phenylpyrazol-1-yl)aniline
CID 869424
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 2036733
3-(1-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479691

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole (CID 101073728) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole is FC(F)(F)c1ccc(Cl)c(-n2ccc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole?
The InChIKey is DPHIHYKACVLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-9-8-14(21-22)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole?
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole 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 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole is sourced from PubChem (CID 101073728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).