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

C14H17N5O — CID 110874048

IUPACcyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H17N5O/c20-14(11-1-2-11)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,1-2,7-10H2
InChIKeyUWKGXPPRGJSEMS-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.79
Rot. Bonds2

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

cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (PubChem CID 110874048) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
PubChem CID110874048
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Namecyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H17N5O/c20-14(11-1-2-11)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,1-2,7-10H2
InChIKeyUWKGXPPRGJSEMS-UHFFFAOYSA-N
XLogP0.79
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (CID 110874048) is cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is O=C(C1CC1)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The InChIKey is UWKGXPPRGJSEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(11-1-2-11)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,1-2,7-10H2.
What are the key properties of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110874048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).