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

C21H23N3O2 — CID 135355545

IUPAC5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCCCC3O)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H23N3O2/c1-23-14-18(17(11-21(23)26)15-7-3-2-4-8-15)16-12-22-24(13-16)19-9-5-6-10-20(19)25/h2-4,7-8,11-14,19-20,25H,5-6,9-10H2,1H3
InChIKeyVLVDMHYOXTWJCL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.39
Rot. Bonds3

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

5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355545) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
PubChem CID135355545
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCCCC3O)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H23N3O2/c1-23-14-18(17(11-21(23)26)15-7-3-2-4-8-15)16-12-22-24(13-16)19-9-5-6-10-20(19)25/h2-4,7-8,11-14,19-20,25H,5-6,9-10H2,1H3
InChIKeyVLVDMHYOXTWJCL-UHFFFAOYSA-N
XLogP3.39
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclohexylamino)butan-2-yl)acetamide
CID 52944049
N-((2S,3R)-4-(1-(1-tert-butyl-1H-pyrazol-4-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52945191
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 145970395
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 162659967
US10617680, Example 21
CID 135355395
US10617680, Example 146
CID 135355056
US10617680, Example 130
CID 135355071
US10617680, Example 132
CID 135355137
US10617680, Example 125
CID 135355145
US10617680, Example 111
CID 135355190
US10617680, Example 126
CID 135355209
US10617680, Example 17
CID 135355230

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (CID 135355545) is 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn(C3CCCCC3O)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The InChIKey is VLVDMHYOXTWJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23-14-18(17(11-21(23)26)15-7-3-2-4-8-15)16-12-22-24(13-16)19-9-5-6-10-20(19)25/h2-4,7-8,11-14,19-20,25H,5-6,9-10H2,1H3.
What are the key properties of 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).