N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide

C19H17N5O4 — CID 55760807

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H17N5O4/c1-22(13-18(25)21-15-5-3-2-4-6-15)19(26)14-11-20-23(12-14)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3,(H,21,25)
InChIKeyBKPCNOXXZDOFKW-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.49
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide

N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 55760807) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide
PubChem CID55760807
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H17N5O4/c1-22(13-18(25)21-15-5-3-2-4-6-15)19(26)14-11-20-23(12-14)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3,(H,21,25)
InChIKeyBKPCNOXXZDOFKW-UHFFFAOYSA-N
XLogP2.49
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 49160152
1-(4-nitrophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55840739
N-[3-(butanoylamino)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 87026264
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
N-[3-(2-fluoro-N-methylanilino)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55907257
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[3-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119432211
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55761860
4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 46409143
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-[4-(azepan-1-yl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 51117901

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide (CID 55760807) is N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is BKPCNOXXZDOFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-22(13-18(25)21-15-5-3-2-4-6-15)19(26)14-11-20-23(12-14)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3,(H,21,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).