N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide

C13H14N4O3 — CID 19478340

IUPACN-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1
InChIInChI=1S/C13H14N4O3/c1-3-9-4-6-10(7-5-9)15-13(18)12-11(17(19)20)8-14-16(12)2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyGZEYHQTVBQVGLM-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.14
Rot. Bonds4

About N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide

N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide (PubChem CID 19478340) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
PubChem CID19478340
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1
InChIInChI=1S/C13H14N4O3/c1-3-9-4-6-10(7-5-9)15-13(18)12-11(17(19)20)8-14-16(12)2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyGZEYHQTVBQVGLM-UHFFFAOYSA-N
XLogP2.14
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.14
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-ethylphenyl)-1-methyl-4-nitropyrazole-5-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

methyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
CID 748650
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478554
1-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-nitropyrazole-5-carboxamide
CID 19579467
N-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
CID 747520
1-methyl-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 19580199
1-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
CID 19478448
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478569
1-methyl-4-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)pyrazole-5-carboxamide
CID 752895
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide (CID 19478340) is N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide is CCc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide?
The InChIKey is GZEYHQTVBQVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-9-4-6-10(7-5-9)15-13(18)12-11(17(19)20)8-14-16(12)2/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide?
N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19478340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).