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

C16H10ClF3N2 — CID 166451204

IUPAC4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N2/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)21-22-15(13)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHVQDRLQLVCLDKB-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.42
Rot. Bonds2

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

4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 166451204) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID166451204
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N2/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)21-22-15(13)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHVQDRLQLVCLDKB-UHFFFAOYSA-N
XLogP5.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 732508
1-benzyl-4-[5-(4-chlorophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine
CID 10595908
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10618874
1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-piperidine
CID 10618875
4-[5-(4-Chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10619737
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-(3-phenyl-propyl)-piperidine
CID 10738530

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (CID 166451204) is 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]nc(-c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HVQDRLQLVCLDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)21-22-15(13)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 322.72 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 166451204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).