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

C18H21N3O3 — CID 2991665

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)c(OC)c3)c2n1
InChIInChI=1S/C18H21N3O3/c1-5-6-13-10-16(22)21-18(19-13)17(11(2)20-21)12-7-8-14(23-3)15(9-12)24-4/h7-10,20H,5-6H2,1-4H3
InChIKeyKZKNPFZFFYUERZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.97
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2991665) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2991665
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)c(OC)c3)c2n1
InChIInChI=1S/C18H21N3O3/c1-5-6-13-10-16(22)21-18(19-13)17(11(2)20-21)12-7-8-14(23-3)15(9-12)24-4/h7-10,20H,5-6H2,1-4H3
InChIKeyKZKNPFZFFYUERZ-UHFFFAOYSA-N
XLogP2.97
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2991665) is 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)c(OC)c3)c2n1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KZKNPFZFFYUERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-5-6-13-10-16(22)21-18(19-13)17(11(2)20-21)12-7-8-14(23-3)15(9-12)24-4/h7-10,20H,5-6H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2991665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).