5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one

C13H18N4O — CID 54863783

IUPAC5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cn[nH]c2C)ccc1=O
InChIInChI=1S/C13H18N4O/c1-3-6-17-9-12(4-5-13(17)18)14-7-11-8-15-16-10(11)2/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyLNCXJMSUVUZISV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds5

About 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one

5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one (PubChem CID 54863783) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one
PubChem CID54863783
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cn[nH]c2C)ccc1=O
InChIInChI=1S/C13H18N4O/c1-3-6-17-9-12(4-5-13(17)18)14-7-11-8-15-16-10(11)2/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyLNCXJMSUVUZISV-UHFFFAOYSA-N
XLogP1.90
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one (CID 54863783) is 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2cn[nH]c2C)ccc1=O.
What is the InChIKey of 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one?
The InChIKey is LNCXJMSUVUZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-6-17-9-12(4-5-13(17)18)14-7-11-8-15-16-10(11)2/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one?
5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 54863783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).