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

C15H19N3O — CID 116622240

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccn(C3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c19-15-7-9-17(10-8-15)12-13-6-11-18(16-13)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2
InChIKeyTZEOOUDIICMNEY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.60
Rot. Bonds3

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

1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one (PubChem CID 116622240) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
PubChem CID116622240
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccn(C3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c19-15-7-9-17(10-8-15)12-13-6-11-18(16-13)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2
InChIKeyTZEOOUDIICMNEY-UHFFFAOYSA-N
XLogP2.60
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one (CID 116622240) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one is O=c1ccn(Cc2ccn(C3CCCCC3)n2)cc1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The InChIKey is TZEOOUDIICMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-7-9-17(10-8-15)12-13-6-11-18(16-13)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.60, 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]pyridin-4-one is sourced from PubChem (CID 116622240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).