3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H16F3N3O — CID 151512180

IUPAC3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1c(CC)nn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C17H16F3N3O/c1-3-13-14(4-2)21-23-10-9-22(16(24)15(13)23)12-7-5-11(6-8-12)17(18,19)20/h3,5-8H,1,4,9-10H2,2H3
InChIKeyPSRWEYOUNYKHCK-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.77
Rot. Bonds3

About 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 151512180) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID151512180
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1c(CC)nn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C17H16F3N3O/c1-3-13-14(4-2)21-23-10-9-22(16(24)15(13)23)12-7-5-11(6-8-12)17(18,19)20/h3,5-8H,1,4,9-10H2,2H3
InChIKeyPSRWEYOUNYKHCK-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 174163488
7-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
CID 134463471
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 163633411
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81255305
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
CID 71055979
3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 141117890
3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
CID 107430932
4-oxo-5-[4-(trifluoromethylsulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 170712949
(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 155260638
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 151512180) is 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C=Cc1c(CC)nn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PSRWEYOUNYKHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-3-13-14(4-2)21-23-10-9-22(16(24)15(13)23)12-7-5-11(6-8-12)17(18,19)20/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 335.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 151512180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).