N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide

C14H16N4O3 — CID 86925257

IUPACN-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn(C)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c1-4-10-5-6-11(7-13(10)18(20)21)16-14(19)12-8-15-17(3)9(12)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyVZMLXQFZHDHIQZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 86925257) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID86925257
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn(C)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c1-4-10-5-6-11(7-13(10)18(20)21)16-14(19)12-8-15-17(3)9(12)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyVZMLXQFZHDHIQZ-UHFFFAOYSA-N
XLogP2.45
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-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-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 34653227
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
CID 60581964
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 86925257) is N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide is CCc1ccc(NC(=O)c2cnn(C)c2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VZMLXQFZHDHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-10-5-6-11(7-13(10)18(20)21)16-14(19)12-8-15-17(3)9(12)2/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 86925257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).