1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one

C15H22N4O — CID 114555520

IUPAC1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
SMILESCCCn1nccc1CNc1ccc(=O)n(CCC)c1
InChIInChI=1S/C15H22N4O/c1-3-9-18-12-13(5-6-15(18)20)16-11-14-7-8-17-19(14)10-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyPAQQINJOQQRUMF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds7

About 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one

1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one (PubChem CID 114555520) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
PubChem CID114555520
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
SMILESCCCn1nccc1CNc1ccc(=O)n(CCC)c1
InChIInChI=1S/C15H22N4O/c1-3-9-18-12-13(5-6-15(18)20)16-11-14-7-8-17-19(14)10-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyPAQQINJOQQRUMF-UHFFFAOYSA-N
XLogP2.48
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one (CID 114555520) is 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one is CCCn1nccc1CNc1ccc(=O)n(CCC)c1.
What is the InChIKey of 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one?
The InChIKey is PAQQINJOQQRUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-9-18-12-13(5-6-15(18)20)16-11-14-7-8-17-19(14)10-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one?
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one has a molecular weight of 274.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 114555520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).