3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N3O2 — CID 3157234

IUPAC3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C17H19N3O2/c1-4-5-13-10-15(21)20-17(18-13)16(11(2)19-20)12-6-8-14(22-3)9-7-12/h6-10,19H,4-5H2,1-3H3
InChIKeySLGWAAVREWMFEC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.96
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 3157234) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID3157234
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C17H19N3O2/c1-4-5-13-10-15(21)20-17(18-13)16(11(2)19-20)12-6-8-14(22-3)9-7-12/h6-10,19H,4-5H2,1-3H3
InChIKeySLGWAAVREWMFEC-UHFFFAOYSA-N
XLogP2.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-2-methyl-5-propyl-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 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 3157234) is 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SLGWAAVREWMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-5-13-10-15(21)20-17(18-13)16(11(2)19-20)12-6-8-14(22-3)9-7-12/h6-10,19H,4-5H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 297.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3157234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).