3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one

C19H26N4O — CID 110091222

IUPAC3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H26N4O/c24-19(6-5-15-3-1-2-4-15)22-13-9-16(10-14-22)17-7-11-20-18-8-12-21-23(17)18/h7-8,11-12,15-16H,1-6,9-10,13-14H2
InChIKeyKJYVDTAYHAEMDO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.41
Rot. Bonds4

About 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one

3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one (PubChem CID 110091222) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
PubChem CID110091222
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H26N4O/c24-19(6-5-15-3-1-2-4-15)22-13-9-16(10-14-22)17-7-11-20-18-8-12-21-23(17)18/h7-8,11-12,15-16H,1-6,9-10,13-14H2
InChIKeyKJYVDTAYHAEMDO-UHFFFAOYSA-N
XLogP3.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one (CID 110091222) is 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one is O=C(CCC1CCCC1)N1CCC(c2ccnc3ccnn23)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one?
The InChIKey is KJYVDTAYHAEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(6-5-15-3-1-2-4-15)22-13-9-16(10-14-22)17-7-11-20-18-8-12-21-23(17)18/h7-8,11-12,15-16H,1-6,9-10,13-14H2.
What are the key properties of 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110091222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).