5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one

C21H23N3O — CID 135355145

IUPAC5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCCCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H23N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3
InChIKeyIBCSYNJDSDAJAT-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.42
Rot. Bonds3

About 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one

5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355145) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
PubChem CID135355145
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCCCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H23N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3
InChIKeyIBCSYNJDSDAJAT-UHFFFAOYSA-N
XLogP4.42
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one (CID 135355145) is 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn(C3CCCCC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The InChIKey is IBCSYNJDSDAJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3.
What are the key properties of 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).