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

C16H16ClN3O — CID 753151

IUPAC3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H16ClN3O/c1-3-4-13-9-14(21)20-16(18-13)15(10(2)19-20)11-5-7-12(17)8-6-11/h5-9,19H,3-4H2,1-2H3
InChIKeyFRRDLPUGHJSODK-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.60
Rot. Bonds3

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

3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 753151) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID753151
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H16ClN3O/c1-3-4-13-9-14(21)20-16(18-13)15(10(2)19-20)11-5-7-12(17)8-6-11/h5-9,19H,3-4H2,1-2H3
InChIKeyFRRDLPUGHJSODK-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 753151) is 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FRRDLPUGHJSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-4-13-9-14(21)20-16(18-13)15(10(2)19-20)11-5-7-12(17)8-6-11/h5-9,19H,3-4H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.78 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 753151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).