5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one

C22H18FN3O — CID 135355382

IUPAC5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H18FN3O/c1-25-15-21(20(11-22(25)27)17-7-9-19(23)10-8-17)18-12-24-26(14-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3
InChIKeyLOXOGFWAVMBZSH-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.10
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one (PubChem CID 135355382) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one
PubChem CID135355382
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H18FN3O/c1-25-15-21(20(11-22(25)27)17-7-9-19(23)10-8-17)18-12-24-26(14-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3
InChIKeyLOXOGFWAVMBZSH-UHFFFAOYSA-N
XLogP4.10
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fezolamine
CID 54567
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
N-[(4-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168274944
N-[(2,6-difluorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168290075
N-[1-[4-[2-(1-benzylpyrazol-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68191414
1-[1-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532979
1-[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532980
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533187
1-[1-(2,4-Difluoro-benzyl)-3-(4-fluoro-phenyl)-6-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71533616
N-[1-[4-[2-(1-benzylpyrazol-4-yl)ethynyl]phenyl]ethyl]acetamide
CID 90429563
US10617680, Example 160
CID 135355041

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one (CID 135355382) is 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one?
The InChIKey is LOXOGFWAVMBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-25-15-21(20(11-22(25)27)17-7-9-19(23)10-8-17)18-12-24-26(14-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-4-(4-fluorophenyl)-1-methylpyridin-2-one has a molecular weight of 359.40 g/mol, XLogP of 4.10, 4 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)-4-(4-fluorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).