1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

C17H18F2N4O — CID 69295748

IUPAC1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESCc1ccn2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)c2n1
InChIInChI=1S/C17H18F2N4O/c1-10-4-5-23-17(20-10)13(16(21-23)12-2-3-12)9-22-8-11(6-14(18)19)7-15(22)24/h4-6,11-12H,2-3,7-9H2,1H3
InChIKeyXTXPWMQNDQXKPN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.04
Rot. Bonds4

About 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 69295748) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID69295748
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESCc1ccn2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)c2n1
InChIInChI=1S/C17H18F2N4O/c1-10-4-5-23-17(20-10)13(16(21-23)12-2-3-12)9-22-8-11(6-14(18)19)7-15(22)24/h4-6,11-12H,2-3,7-9H2,1H3
InChIKeyXTXPWMQNDQXKPN-UHFFFAOYSA-N
XLogP3.04
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 69295748) is 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is Cc1ccn2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)c2n1.
What is the InChIKey of 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is XTXPWMQNDQXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-10-4-5-23-17(20-10)13(16(21-23)12-2-3-12)9-22-8-11(6-14(18)19)7-15(22)24/h4-6,11-12H,2-3,7-9H2,1H3.
What are the key properties of 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 332.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 69295748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).