N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide

C22H21ClN4O2 — CID 55480744

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21ClN4O2/c1-15-13-20(27(25-15)19-6-4-5-17(23)14-19)24-22(29)16-8-10-18(11-9-16)26-12-3-2-7-21(26)28/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,24,29)
InChIKeyQKTNLPHXFBNOCO-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.60
Rot. Bonds4

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 55480744) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID55480744
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21ClN4O2/c1-15-13-20(27(25-15)19-6-4-5-17(23)14-19)24-22(29)16-8-10-18(11-9-16)26-12-3-2-7-21(26)28/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,24,29)
InChIKeyQKTNLPHXFBNOCO-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56573611
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55503557

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide (CID 55480744) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide is Cc1cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is QKTNLPHXFBNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-15-13-20(27(25-15)19-6-4-5-17(23)14-19)24-22(29)16-8-10-18(11-9-16)26-12-3-2-7-21(26)28/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,24,29).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 55480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).