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

C16H17N3O — CID 652947

IUPAC2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H17N3O/c1-3-4-13-9-16(20)19-15(17-13)10-14(18-19)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyMERRDVXKSSIBGD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds3

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

2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 652947) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID652947
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H17N3O/c1-3-4-13-9-16(20)19-15(17-13)10-14(18-19)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyMERRDVXKSSIBGD-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 652947) is 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1.
What is the InChIKey of 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MERRDVXKSSIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-4-13-9-16(20)19-15(17-13)10-14(18-19)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-methylphenyl)-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-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 652947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).