5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one

C22H25N3O — CID 135355257

IUPAC5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CCCCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H25N3O/c1-24-16-21(20(12-22(24)26)18-10-6-3-7-11-18)19-13-23-25(15-19)14-17-8-4-2-5-9-17/h3,6-7,10-13,15-17H,2,4-5,8-9,14H2,1H3
InChIKeyIOIFMSOEACSCCS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.50
Rot. Bonds4

About 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one

5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355257) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
PubChem CID135355257
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CCCCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H25N3O/c1-24-16-21(20(12-22(24)26)18-10-6-3-7-11-18)19-13-23-25(15-19)14-17-8-4-2-5-9-17/h3,6-7,10-13,15-17H,2,4-5,8-9,14H2,1H3
InChIKeyIOIFMSOEACSCCS-UHFFFAOYSA-N
XLogP4.50
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (CID 135355257) is 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn(CC3CCCCC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The InChIKey is IOIFMSOEACSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24-16-21(20(12-22(24)26)18-10-6-3-7-11-18)19-13-23-25(15-19)14-17-8-4-2-5-9-17/h3,6-7,10-13,15-17H,2,4-5,8-9,14H2,1H3.
What are the key properties of 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).