1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C18H20N4O — CID 135355412

IUPAC1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCNc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C18H20N4O/c1-13(14-7-5-4-6-8-14)22-11-15(10-20-22)16-12-21(3)18(23)9-17(16)19-2/h4-13,19H,1-3H3
InChIKeyGHWLJJPYHDRPCS-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.90
Rot. Bonds4

About 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355412) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355412
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCNc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C18H20N4O/c1-13(14-7-5-4-6-8-14)22-11-15(10-20-22)16-12-21(3)18(23)9-17(16)19-2/h4-13,19H,1-3H3
InChIKeyGHWLJJPYHDRPCS-UHFFFAOYSA-N
XLogP2.90
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355412) is 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CNc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is GHWLJJPYHDRPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(14-7-5-4-6-8-14)22-11-15(10-20-22)16-12-21(3)18(23)9-17(16)19-2/h4-13,19H,1-3H3.
What are the key properties of 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 308.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).