5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole

C17H13F3N2O — CID 122396083

IUPAC5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(C2=CC(c3ccccc3)(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-14-9-7-12(8-10-14)15-11-16(22-21-15,17(18,19)20)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyUBXLOSOPIMBVHN-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.96
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole

5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 122396083) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID122396083
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(C2=CC(c3ccccc3)(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-14-9-7-12(8-10-14)15-11-16(22-21-15,17(18,19)20)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyUBXLOSOPIMBVHN-UHFFFAOYSA-N
XLogP4.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-3-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-4H-1,2-oxazole
CID 73295001
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
tert-butyl 3-(4-methoxyphenyl)-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950588
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
CID 10465882
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole (CID 122396083) is 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole is COc1ccc(C2=CC(c3ccccc3)(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is UBXLOSOPIMBVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-23-14-9-7-12(8-10-14)15-11-16(22-21-15,17(18,19)20)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole?
5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 318.30 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 122396083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).