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

C16H20N4O2 — CID 110132864

IUPAC5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(CC1CC1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C16H20N4O2/c21-15(9-11-1-2-11)19-7-4-12(5-8-19)13-10-16(22)20-14(18-13)3-6-17-20/h3,6,10-12,17H,1-2,4-5,7-9H2
InChIKeyLZGNIFRIVRVNBH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.53
Rot. Bonds3

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

5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132864) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132864
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(CC1CC1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C16H20N4O2/c21-15(9-11-1-2-11)19-7-4-12(5-8-19)13-10-16(22)20-14(18-13)3-6-17-20/h3,6,10-12,17H,1-2,4-5,7-9H2
InChIKeyLZGNIFRIVRVNBH-UHFFFAOYSA-N
XLogP1.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132864) is 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(CC1CC1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.
What is the InChIKey of 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LZGNIFRIVRVNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(9-11-1-2-11)19-7-4-12(5-8-19)13-10-16(22)20-14(18-13)3-6-17-20/h3,6,10-12,17H,1-2,4-5,7-9H2.
What are the key properties of 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 300.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).