1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one

C16H21N3O — CID 116622567

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccn(C3CCCCC3)n2)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-13-7-9-18(16(20)11-13)12-14-8-10-19(17-14)15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3
InChIKeyVFEOBMXCPJKGPC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds3

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one

1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one (PubChem CID 116622567) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
PubChem CID116622567
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccn(C3CCCCC3)n2)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-13-7-9-18(16(20)11-13)12-14-8-10-19(17-14)15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3
InChIKeyVFEOBMXCPJKGPC-UHFFFAOYSA-N
XLogP2.91
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one (CID 116622567) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2ccn(C3CCCCC3)n2)c(=O)c1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is VFEOBMXCPJKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-7-9-18(16(20)11-13)12-14-8-10-19(17-14)15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 116622567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).