5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C20H26N4O2 — CID 110312211

IUPAC5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)N3CCCCC3)nn2C)cc1C
InChIInChI=1S/C20H26N4O2/c1-14-7-8-16(11-15(14)2)18-12-17(22-23(18)3)20(26)21-13-19(25)24-9-5-4-6-10-24/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,26)
InChIKeyFXPWGCWMXWBTEJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 110312211) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID110312211
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)N3CCCCC3)nn2C)cc1C
InChIInChI=1S/C20H26N4O2/c1-14-7-8-16(11-15(14)2)18-12-17(22-23(18)3)20(26)21-13-19(25)24-9-5-4-6-10-24/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,26)
InChIKeyFXPWGCWMXWBTEJ-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
3-(dimethylamino)-1-[4-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 110420398
1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 78901048
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 110312211) is 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(=O)N3CCCCC3)nn2C)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is FXPWGCWMXWBTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-7-8-16(11-15(14)2)18-12-17(22-23(18)3)20(26)21-13-19(25)24-9-5-4-6-10-24/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,26).
What are the key properties of 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110312211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).