[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

C17H13F3N2O2 — CID 2845036

IUPAC[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(C(F)(F)F)CC1(O)c1ccccc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-11-16(24,13-9-5-2-6-10-13)22(21-14)15(23)12-7-3-1-4-8-12/h1-10,24H,11H2
InChIKeyAZZHPWJJDXOFII-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.30
Rot. Bonds2

About [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 2845036) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID2845036
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(C(F)(F)F)CC1(O)c1ccccc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-11-16(24,13-9-5-2-6-10-13)22(21-14)15(23)12-7-3-1-4-8-12/h1-10,24H,11H2
InChIKeyAZZHPWJJDXOFII-UHFFFAOYSA-N
XLogP3.30
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-hydroxy-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 2857746
(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 3113607
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
5-(4-Bromophenyl)-3-ethyl-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 3120301
(2-Hydroxy-phenyl)-(5-hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-y
CID 3147071
2-Pyrazolin-5-ol, 1-(2-fluorobenzoyl)-3-trifluoromethyl-5-phenyl-
CID 579539

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 2845036) is [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(C(F)(F)F)CC1(O)c1ccccc1.
What is the InChIKey of [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is AZZHPWJJDXOFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)14-11-16(24,13-9-5-2-6-10-13)22(21-14)15(23)12-7-3-1-4-8-12/h1-10,24H,11H2.
What are the key properties of [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 334.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2845036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).