phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone

C18H10F6N2O — CID 162535186

IUPACphenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)15-13(14(27)11-7-3-1-4-8-11)16(18(22,23)24)26(25-15)12-9-5-2-6-10-12/h1-10H
InChIKeyCBRCUVKCSIFEHB-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.14
Rot. Bonds3

About phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone

phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 162535186) has the molecular formula C18H10F6N2O and a molecular weight of 384.28 g/mol. Its IUPAC name is phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID162535186
Molecular FormulaC18H10F6N2O
Molecular Weight384.28 g/mol
Exact Mass384.07
IUPAC Namephenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)15-13(14(27)11-7-3-1-4-8-11)16(18(22,23)24)26(25-15)12-9-5-2-6-10-12/h1-10H
InChIKeyCBRCUVKCSIFEHB-UHFFFAOYSA-N
XLogP5.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
5-methoxycarbonyl-3-oxo-2-phenyl-6-(trifluoromethyl)pyridazin-4-olate
CID 54719430
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 176859269
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484
[1-(4-chlorophenyl)-5-(trifluoromethyl)triazol-4-yl]-phenylmethanone
CID 91926658
2-[4-fluoro-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxyacetic acid
CID 67815513
3-phenyl-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 174629458
2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 91654293
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409
N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
CID 24826364
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone (CID 162535186) is phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone is O=C(c1ccccc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is CBRCUVKCSIFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O/c19-17(20,21)15-13(14(27)11-7-3-1-4-8-11)16(18(22,23)24)26(25-15)12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone?
phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 384.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 162535186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).