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

C22H18ClN3O — CID 135355170

IUPAC5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccc2Cl)cc1=O
InChIInChI=1S/C22H18ClN3O/c1-25-15-20(19(11-22(25)27)18-9-5-6-10-21(18)23)17-12-24-26(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3
InChIKeySJWUOLIPHQCFHM-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.62
Rot. Bonds4

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

5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one (PubChem CID 135355170) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one
PubChem CID135355170
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccc2Cl)cc1=O
InChIInChI=1S/C22H18ClN3O/c1-25-15-20(19(11-22(25)27)18-9-5-6-10-21(18)23)17-12-24-26(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3
InChIKeySJWUOLIPHQCFHM-UHFFFAOYSA-N
XLogP4.62
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tram-34
CID 656734
3-{1-[(2-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}prop-2-enoic acid
CID 2466753
N-(2-chlorobenzyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 1225824
N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57399392
N-[(2,6-dichlorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168269941
N-[(2-chloro-6-fluorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168287708
US10617680, Example 149
CID 135355382
(E)-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 25598364
(E)-3-(1-benzylpyrazol-4-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 25660889
US10617680, Example 35
CID 135355182
US10617680, Example 6
CID 135355311
US10617680, Example 21
CID 135355395

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one (CID 135355170) is 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccc2Cl)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one?
The InChIKey is SJWUOLIPHQCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-25-15-20(19(11-22(25)27)18-9-5-6-10-21(18)23)17-12-24-26(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-4-(2-chlorophenyl)-1-methylpyridin-2-one has a molecular weight of 375.86 g/mol, XLogP of 4.62, 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-(2-chlorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).