4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

C16H21N3O — CID 135355414

IUPAC4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(C)c(=O)cc2C2CCCCC2)cn1
InChIInChI=1S/C16H21N3O/c1-18-11-15(13-9-17-19(2)10-13)14(8-16(18)20)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
InChIKeyAOBZXALFRMAZPZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds2

About 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355414) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID135355414
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(C)c(=O)cc2C2CCCCC2)cn1
InChIInChI=1S/C16H21N3O/c1-18-11-15(13-9-17-19(2)10-13)14(8-16(18)20)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
InChIKeyAOBZXALFRMAZPZ-UHFFFAOYSA-N
XLogP2.83
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 135355414) is 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cn(C)c(=O)cc2C2CCCCC2)cn1.
What is the InChIKey of 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is AOBZXALFRMAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-11-15(13-9-17-19(2)10-13)14(8-16(18)20)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).