5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H13N3O2 — CID 22308877

IUPAC5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3ccoc3)nc12
InChIInChI=1S/C13H13N3O2/c1-8(2)10-6-14-16-12(17)5-11(15-13(10)16)9-3-4-18-7-9/h3-8,14H,1-2H3
InChIKeyLBCPKOZOCXNBBT-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.41
Rot. Bonds2

About 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22308877) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22308877
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3ccoc3)nc12
InChIInChI=1S/C13H13N3O2/c1-8(2)10-6-14-16-12(17)5-11(15-13(10)16)9-3-4-18-7-9/h3-8,14H,1-2H3
InChIKeyLBCPKOZOCXNBBT-UHFFFAOYSA-N
XLogP2.41
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22308877) is 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1c[nH]n2c(=O)cc(-c3ccoc3)nc12.
What is the InChIKey of 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LBCPKOZOCXNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8(2)10-6-14-16-12(17)5-11(15-13(10)16)9-3-4-18-7-9/h3-8,14H,1-2H3.
What are the key properties of 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 243.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22308877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).