5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C16H15F4N3O — CID 145008195

IUPAC5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)c1)CC2C
InChIInChI=1S/C16H15F4N3O/c1-9-7-21-23-10(2)8-22(15(24)14(9)23)12-3-4-13(16(18,19)20)11(5-12)6-17/h3-5,7,10H,6,8H2,1-2H3
InChIKeyRYHNJLVSALTBLS-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.90
Rot. Bonds2

About 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 145008195) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID145008195
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)c1)CC2C
InChIInChI=1S/C16H15F4N3O/c1-9-7-21-23-10(2)8-22(15(24)14(9)23)12-3-4-13(16(18,19)20)11(5-12)6-17/h3-5,7,10H,6,8H2,1-2H3
InChIKeyRYHNJLVSALTBLS-UHFFFAOYSA-N
XLogP3.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 145008195) is 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)c1)CC2C.
What is the InChIKey of 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RYHNJLVSALTBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c1-9-7-21-23-10(2)8-22(15(24)14(9)23)12-3-4-13(16(18,19)20)11(5-12)6-17/h3-5,7,10H,6,8H2,1-2H3.
What are the key properties of 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 341.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 145008195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).