2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one

C18H19N3O — CID 19909819

IUPAC2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCCCC1C(=O)N(c2ccc(C)cc2)N=C1c1cccnc1
InChIInChI=1S/C18H19N3O/c1-3-5-16-17(14-6-4-11-19-12-14)20-21(18(16)22)15-9-7-13(2)8-10-15/h4,6-12,16H,3,5H2,1-2H3
InChIKeyLRUUGSLFFXJRBB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one

2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one (PubChem CID 19909819) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one
PubChem CID19909819
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCCCC1C(=O)N(c2ccc(C)cc2)N=C1c1cccnc1
InChIInChI=1S/C18H19N3O/c1-3-5-16-17(14-6-4-11-19-12-14)20-21(18(16)22)15-9-7-13(2)8-10-15/h4,6-12,16H,3,5H2,1-2H3
InChIKeyLRUUGSLFFXJRBB-UHFFFAOYSA-N
XLogP3.56
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one (CID 19909819) is 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one is CCCC1C(=O)N(c2ccc(C)cc2)N=C1c1cccnc1.
What is the InChIKey of 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The InChIKey is LRUUGSLFFXJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-5-16-17(14-6-4-11-19-12-14)20-21(18(16)22)15-9-7-13(2)8-10-15/h4,6-12,16H,3,5H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one?
2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one is sourced from PubChem (CID 19909819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).