1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

C13H17N7O4 — CID 19555657

IUPAC1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(=O)NC)n1
InChIInChI=1S/C13H17N7O4/c1-3-18-8-10(12(17-18)13(22)14-2)16-11(21)4-5-19-7-9(6-15-19)20(23)24/h6-8H,3-5H2,1-2H3,(H,14,22)(H,16,21)
InChIKeyJAFVJWHWWLLGRZ-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.40
Rot. Bonds7

About 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (PubChem CID 19555657) has the molecular formula C13H17N7O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
PubChem CID19555657
Molecular FormulaC13H17N7O4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(=O)NC)n1
InChIInChI=1S/C13H17N7O4/c1-3-18-8-10(12(17-18)13(22)14-2)16-11(21)4-5-19-7-9(6-15-19)20(23)24/h6-8H,3-5H2,1-2H3,(H,14,22)(H,16,21)
InChIKeyJAFVJWHWWLLGRZ-UHFFFAOYSA-N
XLogP0.40
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-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

1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
N,1-dimethyl-4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxamide
CID 19564157
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
N,1-dimethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408910
1-[3-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483194
2-ethyl-N-[3-[3-(4-nitropyrazol-1-yl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19555628

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (CID 19555657) is 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(=O)NC)n1.
What is the InChIKey of 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The InChIKey is JAFVJWHWWLLGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O4/c1-3-18-8-10(12(17-18)13(22)14-2)16-11(21)4-5-19-7-9(6-15-19)20(23)24/h6-8H,3-5H2,1-2H3,(H,14,22)(H,16,21).
What are the key properties of 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 19555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).