7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C14H18N4O — CID 137018714

IUPAC7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC=C(C)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O/c1-9(2)11-8-16-18-12(7-13(19)17-14(11)18)10-3-5-15-6-4-10/h7-8,10,15H,1,3-6H2,2H3,(H,17,19)
InChIKeyVCMGWBJFLUHCAZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.52
Rot. Bonds2

About 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018714) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018714
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC=C(C)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O/c1-9(2)11-8-16-18-12(7-13(19)17-14(11)18)10-3-5-15-6-4-10/h7-8,10,15H,1,3-6H2,2H3,(H,17,19)
InChIKeyVCMGWBJFLUHCAZ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018714) is 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is C=C(C)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VCMGWBJFLUHCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)11-8-16-18-12(7-13(19)17-14(11)18)10-3-5-15-6-4-10/h7-8,10,15H,1,3-6H2,2H3,(H,17,19).
What are the key properties of 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 258.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-prop-1-en-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).