3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18F2N4O — CID 170713296

IUPAC3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1Cn2ncc(N)c2C(=O)N1c1ccc(C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C20H18F2N4O/c1-13-12-25-18(17(23)11-24-25)19(27)26(13)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3
InChIKeyLPUHJSXAHKMMJO-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 170713296) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID170713296
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1Cn2ncc(N)c2C(=O)N1c1ccc(C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C20H18F2N4O/c1-13-12-25-18(17(23)11-24-25)19(27)26(13)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3
InChIKeyLPUHJSXAHKMMJO-UHFFFAOYSA-N
XLogP3.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170712794
[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
CID 174204351
N-(4-bromo-3-cyanophenyl)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174163045
N-[4-(2-aminoethoxy)-3-cyanophenyl]-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174162885
(6S)-3-amino-5-[4-(3-methoxybenzoyl)phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170712858
3-cyano-N-[(6S)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-[2-(methylamino)ethoxy]benzamide
CID 170713102
(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 170713079
ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713183
3-cyano-N-[5-[4-[difluoro-(2-methoxyphenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-methoxybenzamide
CID 174162883
N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204390
ethyl (6S)-5-(4-bromophenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713407
3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 170712755

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 170713296) is 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1Cn2ncc(N)c2C(=O)N1c1ccc(C(F)(F)c2ccccc2)cc1.
What is the InChIKey of 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LPUHJSXAHKMMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-13-12-25-18(17(23)11-24-25)19(27)26(13)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3.
What are the key properties of 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 170713296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).