5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H13N3O — CID 19608345

IUPAC5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C10H13N3O/c1-2-3-4-8-7-10(14)13-9(12-8)5-6-11-13/h5-7,11H,2-4H2,1H3
InChIKeyJOPHGISPLCAPFZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds3

About 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 19608345) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID19608345
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C10H13N3O/c1-2-3-4-8-7-10(14)13-9(12-8)5-6-11-13/h5-7,11H,2-4H2,1H3
InChIKeyJOPHGISPLCAPFZ-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 19608345) is 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCCc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JOPHGISPLCAPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-4-8-7-10(14)13-9(12-8)5-6-11-13/h5-7,11H,2-4H2,1H3.
What are the key properties of 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 191.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 19608345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).