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

C16H17N3O2 — CID 1084420

IUPAC2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C16H17N3O2/c1-3-4-12-9-16(20)19-15(17-12)10-14(18-19)11-5-7-13(21-2)8-6-11/h5-10,18H,3-4H2,1-2H3
InChIKeyHRUHHHQUHPZPKW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds4

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

2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1084420) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1084420
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C16H17N3O2/c1-3-4-12-9-16(20)19-15(17-12)10-14(18-19)11-5-7-13(21-2)8-6-11/h5-10,18H,3-4H2,1-2H3
InChIKeyHRUHHHQUHPZPKW-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1084420) is 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HRUHHHQUHPZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-4-12-9-16(20)19-15(17-12)10-14(18-19)11-5-7-13(21-2)8-6-11/h5-10,18H,3-4H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1084420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).