(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C15H20N4O — CID 138001081

IUPAC(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCCC1(CC)CCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C15H20N4O/c1-3-15(4-2)6-9-18(11-15)14(20)12-10-13-16-7-5-8-19(13)17-12/h5,7-8,10H,3-4,6,9,11H2,1-2H3
InChIKeyVQQNMOSZHGOJRY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds3

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

(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 138001081) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID138001081
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCCC1(CC)CCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C15H20N4O/c1-3-15(4-2)6-9-18(11-15)14(20)12-10-13-16-7-5-8-19(13)17-12/h5,7-8,10H,3-4,6,9,11H2,1-2H3
InChIKeyVQQNMOSZHGOJRY-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 138001081) is (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is CCC1(CC)CCN(C(=O)c2cc3ncccn3n2)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is VQQNMOSZHGOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-15(4-2)6-9-18(11-15)14(20)12-10-13-16-7-5-8-19(13)17-12/h5,7-8,10H,3-4,6,9,11H2,1-2H3.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
(3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 138001081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).