5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one

C17H17N3O — CID 135355339

IUPAC5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cnn(Cc3ccccc3)c2)cn(C)c1=O
InChIInChI=1S/C17H17N3O/c1-13-8-15(11-19(2)17(13)21)16-9-18-20(12-16)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3
InChIKeyUKEDDXGWIAIVTI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds3

About 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one (PubChem CID 135355339) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one
PubChem CID135355339
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cnn(Cc3ccccc3)c2)cn(C)c1=O
InChIInChI=1S/C17H17N3O/c1-13-8-15(11-19(2)17(13)21)16-9-18-20(12-16)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3
InChIKeyUKEDDXGWIAIVTI-UHFFFAOYSA-N
XLogP2.61
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
1-Benzyl-1H-pyrazole-4-carbaldehyde
CID 6484676
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
4-(1-tert-butyl-1H-pyrazol-4-yl)-1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CID 50981214
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
N-[(4-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168274944
N-(2-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225332
2-Methyl-4-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118022266
US10617680, Example 160
CID 135355041
US10617680, Example 190
CID 135355186

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one (CID 135355339) is 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2cnn(Cc3ccccc3)c2)cn(C)c1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one?
The InChIKey is UKEDDXGWIAIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-8-15(11-19(2)17(13)21)16-9-18-20(12-16)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 135355339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).