5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H19F2N3O2 — CID 72703189

IUPAC5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1CN(CC2CC2(F)F)C(=O)c2cc(COc3ccccc3)nn21
InChIInChI=1S/C18H19F2N3O2/c1-12-9-22(10-13-8-18(13,19)20)17(24)16-7-14(21-23(12)16)11-25-15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3
InChIKeyPWNRVOUVUQOTNF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.13
Rot. Bonds5

About 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 72703189) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID72703189
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1CN(CC2CC2(F)F)C(=O)c2cc(COc3ccccc3)nn21
InChIInChI=1S/C18H19F2N3O2/c1-12-9-22(10-13-8-18(13,19)20)17(24)16-7-14(21-23(12)16)11-25-15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3
InChIKeyPWNRVOUVUQOTNF-UHFFFAOYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluoro-2-methylcyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157055503
5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 158478677
(7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123378023
5-cyclohexyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-cyclopentyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158554375
(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123800858
5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123605403
5-(cyclobutylmethyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-(cyclobutylmethyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-cycloheptyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclohexylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,3-dihydro-1H-inden-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4,4-dimethylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158850894
5-[(4,4-difluorooxetan-2-yl)methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123733966
7-[(2,2-difluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,8,9,10-tetrahydro-4H-pyrazolo[1,5-g][1,3,7]oxadiazonine
CID 162592822
5-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-cyclohexyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-cyclopentyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-8,8-dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-7-methyl-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-8-methyl-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 161192267
5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077
5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157264643

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 72703189) is 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1CN(CC2CC2(F)F)C(=O)c2cc(COc3ccccc3)nn21.
What is the InChIKey of 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PWNRVOUVUQOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12-9-22(10-13-8-18(13,19)20)17(24)16-7-14(21-23(12)16)11-25-15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 347.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 72703189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).