1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole

C23H17F3N2 — CID 134110547

IUPAC1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cccn2)c1
InChIInChI=1S/C23H17F3N2/c24-23(25,26)21-14-7-13-20(17-21)22(28-16-8-15-27-28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyNIKOIMQUBPRGJQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.74
Rot. Bonds4

About 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole

1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 134110547) has the molecular formula C23H17F3N2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID134110547
Molecular FormulaC23H17F3N2
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cccn2)c1
InChIInChI=1S/C23H17F3N2/c24-23(25,26)21-14-7-13-20(17-21)22(28-16-8-15-27-28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyNIKOIMQUBPRGJQ-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-(1,1-diphenylethyl)pyrazole
CID 58756168
1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole
CID 175419791
1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
CID 141400158
1-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 87584131
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
N-[3-(trifluoromethyl)phenyl]triazol-2-amine
CID 152577416
3,9-dibenzhydrylidene-6,12-bis[bis[3-(trifluoromethyl)phenyl]methylidene]cyclododeca-1,4,7,10-tetrayne
CID 102229847
aniline;3-(trifluoromethyl)aniline
CID 160634583
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193

Frequently Asked Questions

What is the IUPAC name of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 134110547) is 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole is FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cccn2)c1.
What is the InChIKey of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is NIKOIMQUBPRGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2/c24-23(25,26)21-14-7-13-20(17-21)22(28-16-8-15-27-28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H.
What are the key properties of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole?
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 378.40 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 134110547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).