1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide

C22H24N4O2 — CID 44823997

IUPAC1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1C
InChIInChI=1S/C22H24N4O2/c1-14-7-5-9-18(16(14)3)23-21(27)13-26-12-11-20(25-26)22(28)24-19-10-6-8-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyMWZDYVOSCSXNMV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide

1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide (PubChem CID 44823997) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
PubChem CID44823997
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1C
InChIInChI=1S/C22H24N4O2/c1-14-7-5-9-18(16(14)3)23-21(27)13-26-12-11-20(25-26)22(28)24-19-10-6-8-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyMWZDYVOSCSXNMV-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
1-[3-(2,3-dimethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470518
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
N-(2,3-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865750
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19275232
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20868501
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide (CID 44823997) is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)Cn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide?
The InChIKey is MWZDYVOSCSXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-7-5-9-18(16(14)3)23-21(27)13-26-12-11-20(25-26)22(28)24-19-10-6-8-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide?
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 44823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).