[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C15H20N4O — CID 164632532

IUPAC[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCC(C)C[C@H]1CCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C15H20N4O/c1-11(2)8-12-4-7-18(10-12)15(20)13-9-14-16-5-3-6-19(14)17-13/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyOEULKXIUKNMRMI-GFCCVEGCSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds3

About [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 164632532) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID164632532
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCC(C)C[C@H]1CCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C15H20N4O/c1-11(2)8-12-4-7-18(10-12)15(20)13-9-14-16-5-3-6-19(14)17-13/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyOEULKXIUKNMRMI-GFCCVEGCSA-N
XLogP2.24
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 164632532) is [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is CC(C)C[C@H]1CCN(C(=O)c2cc3ncccn3n2)C1.
What is the InChIKey of [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is OEULKXIUKNMRMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)8-12-4-7-18(10-12)15(20)13-9-14-16-5-3-6-19(14)17-13/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 164632532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).