cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone

C16H21N5O — CID 110874054

IUPACcyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H21N5O/c22-16(13-3-1-2-4-13)20-11-9-19(10-12-20)15-6-7-17-14-5-8-18-21(14)15/h5-8,13H,1-4,9-12H2
InChIKeyMRQQRDIRLITYOQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.57
Rot. Bonds2

About cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone

cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (PubChem CID 110874054) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
PubChem CID110874054
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Namecyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H21N5O/c22-16(13-3-1-2-4-13)20-11-9-19(10-12-20)15-6-7-17-14-5-8-18-21(14)15/h5-8,13H,1-4,9-12H2
InChIKeyMRQQRDIRLITYOQ-UHFFFAOYSA-N
XLogP1.57
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (CID 110874054) is cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is O=C(C1CCCC1)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The InChIKey is MRQQRDIRLITYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(13-3-1-2-4-13)20-11-9-19(10-12-20)15-6-7-17-14-5-8-18-21(14)15/h5-8,13H,1-4,9-12H2.
What are the key properties of cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110874054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).