1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

C17H25N5O — CID 56907344

IUPAC1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyPXJPTMUJJAGONP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds6

About 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (PubChem CID 56907344) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
PubChem CID56907344
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyPXJPTMUJJAGONP-UHFFFAOYSA-N
XLogP2.13
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (CID 56907344) is 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is CCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O.
What is the InChIKey of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The InChIKey is PXJPTMUJJAGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3.
What are the key properties of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is sourced from PubChem (CID 56907344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).