[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone

C13H12F4N4O — CID 4775479

IUPAC[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(C(F)F)cc(C(F)F)n2n1)N1CCCC1
InChIInChI=1S/C13H12F4N4O/c14-11(15)7-5-9(12(16)17)21-10(18-7)6-8(19-21)13(22)20-3-1-2-4-20/h5-6,11-12H,1-4H2
InChIKeyODYCGNGGVDZCAN-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.84
Rot. Bonds3

About [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone

[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4775479) has the molecular formula C13H12F4N4O and a molecular weight of 316.26 g/mol. Its IUPAC name is [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID4775479
Molecular FormulaC13H12F4N4O
Molecular Weight316.26 g/mol
Exact Mass316.09
IUPAC Name[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(C(F)F)cc(C(F)F)n2n1)N1CCCC1
InChIInChI=1S/C13H12F4N4O/c14-11(15)7-5-9(12(16)17)21-10(18-7)6-8(19-21)13(22)20-3-1-2-4-20/h5-6,11-12H,1-4H2
InChIKeyODYCGNGGVDZCAN-UHFFFAOYSA-N
XLogP2.84
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone (CID 4775479) is [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2nc(C(F)F)cc(C(F)F)n2n1)N1CCCC1.
What is the InChIKey of [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ODYCGNGGVDZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4O/c14-11(15)7-5-9(12(16)17)21-10(18-7)6-8(19-21)13(22)20-3-1-2-4-20/h5-6,11-12H,1-4H2.
What are the key properties of [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 316.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4775479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).