2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C14H18N4O — CID 137018653

IUPAC2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(C3CC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c19-14-8-12(10-3-5-15-6-4-10)18-13(16-14)7-11(17-18)9-1-2-9/h7-10,15H,1-6H2,(H,16,19)
InChIKeySDOWUCQKCVXTLY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.37
Rot. Bonds2

About 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018653) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018653
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(C3CC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c19-14-8-12(10-3-5-15-6-4-10)18-13(16-14)7-11(17-18)9-1-2-9/h7-10,15H,1-6H2,(H,16,19)
InChIKeySDOWUCQKCVXTLY-UHFFFAOYSA-N
XLogP1.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018653) is 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2nc(C3CC3)cc2[nH]1.
What is the InChIKey of 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is SDOWUCQKCVXTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-8-12(10-3-5-15-6-4-10)18-13(16-14)7-11(17-18)9-1-2-9/h7-10,15H,1-6H2,(H,16,19).
What are the key properties of 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 258.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).