(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone

C23H20N4O — CID 1050335

IUPAC(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCC1
InChIInChI=1S/C23H20N4O/c28-23(26-13-7-8-14-26)20-16-22-24-19(17-9-3-1-4-10-17)15-21(27(22)25-20)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2
InChIKeyAISGVQRKOVTTFF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.30
Rot. Bonds3

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

(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 1050335) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID1050335
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCC1
InChIInChI=1S/C23H20N4O/c28-23(26-13-7-8-14-26)20-16-22-24-19(17-9-3-1-4-10-17)15-21(27(22)25-20)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2
InChIKeyAISGVQRKOVTTFF-UHFFFAOYSA-N
XLogP4.30
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone (CID 1050335) is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCC1.
What is the InChIKey of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is AISGVQRKOVTTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(26-13-7-8-14-26)20-16-22-24-19(17-9-3-1-4-10-17)15-21(27(22)25-20)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2.
What are the key properties of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).