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

C14H18N4O — CID 137018448

IUPAC3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(C3CC3)c2[nH]1
InChIInChI=1S/C14H18N4O/c19-13-7-12(10-3-5-15-6-4-10)18-14(17-13)11(8-16-18)9-1-2-9/h7-10,15H,1-6H2,(H,17,19)
InChIKeyDLUQHQGPIVPRRR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.37
Rot. Bonds2

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

3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018448) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018448
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(C3CC3)c2[nH]1
InChIInChI=1S/C14H18N4O/c19-13-7-12(10-3-5-15-6-4-10)18-14(17-13)11(8-16-18)9-1-2-9/h7-10,15H,1-6H2,(H,17,19)
InChIKeyDLUQHQGPIVPRRR-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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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
US10118930, Example 103
CID 137018571
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 99
CID 137018285
US10118930, Example 287
CID 137018301
US10118930, Example 19
CID 137018318
US10118930, Example 324
CID 137018323
US10118930, Example 65
CID 137018334
US10118930, Example 91
CID 137018337
US10118930, Example 93
CID 137018341

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018448) is 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(C3CC3)c2[nH]1.
What is the InChIKey of 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DLUQHQGPIVPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-13-7-12(10-3-5-15-6-4-10)18-14(17-13)11(8-16-18)9-1-2-9/h7-10,15H,1-6H2,(H,17,19).
What are the key properties of 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-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 3-cyclopropyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).