6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H17N3O2 — CID 2818843

IUPAC6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1c(C)nc2cc(-c3ccco3)[nH]n2c1=O
InChIInChI=1S/C15H17N3O2/c1-3-4-6-11-10(2)16-14-9-12(13-7-5-8-20-13)17-18(14)15(11)19/h5,7-9,17H,3-4,6H2,1-2H3
InChIKeyPVIYSCVBHCYIMY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds4

About 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818843) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818843
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1c(C)nc2cc(-c3ccco3)[nH]n2c1=O
InChIInChI=1S/C15H17N3O2/c1-3-4-6-11-10(2)16-14-9-12(13-7-5-8-20-13)17-18(14)15(11)19/h5,7-9,17H,3-4,6H2,1-2H3
InChIKeyPVIYSCVBHCYIMY-UHFFFAOYSA-N
XLogP2.93
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818843) is 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCCc1c(C)nc2cc(-c3ccco3)[nH]n2c1=O.
What is the InChIKey of 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PVIYSCVBHCYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-4-6-11-10(2)16-14-9-12(13-7-5-8-20-13)17-18(14)15(11)19/h5,7-9,17H,3-4,6H2,1-2H3.
What are the key properties of 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 271.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(furan-2-yl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).