2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H17N3O — CID 666033

IUPAC2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C16H17N3O/c1-3-7-13-10-14(20)19-16(17-13)15(11(2)18-19)12-8-5-4-6-9-12/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyFOIADZGYILOFMN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 666033) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID666033
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C16H17N3O/c1-3-7-13-10-14(20)19-16(17-13)15(11(2)18-19)12-8-5-4-6-9-12/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyFOIADZGYILOFMN-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
3-Methyl-2-p-tolyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazolin-9-ol
CID 656272
2-(4-Methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819041
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
5-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 685204
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 666033) is 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FOIADZGYILOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-7-13-10-14(20)19-16(17-13)15(11(2)18-19)12-8-5-4-6-9-12/h4-6,8-10,18H,3,7H2,1-2H3.
What are the key properties of 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 267.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).