N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

C14H19N7O5 — CID 19529949

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C)n1
InChIInChI=1S/C14H19N7O5/c1-5-18-6-11(9(3)16-18)8(2)15-12(22)7-19-10(4)13(20(23)24)14(17-19)21(25)26/h6,8H,5,7H2,1-4H3,(H,15,22)
InChIKeyRDMWXBHFBQYPTL-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.41
Rot. Bonds7

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (PubChem CID 19529949) has the molecular formula C14H19N7O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
PubChem CID19529949
Molecular FormulaC14H19N7O5
Molecular Weight365.35 g/mol
Exact Mass365.14
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C)n1
InChIInChI=1S/C14H19N7O5/c1-5-18-6-11(9(3)16-18)8(2)15-12(22)7-19-10(4)13(20(23)24)14(17-19)21(25)26/h6,8H,5,7H2,1-4H3,(H,15,22)
InChIKeyRDMWXBHFBQYPTL-UHFFFAOYSA-N
XLogP1.41
TPSA151.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide 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

2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281881
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328201
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19467011
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469137
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521630
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524236
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524253
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524256
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524264
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524265
2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19524278
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524311

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (CID 19529949) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is CCn1cc(C(C)NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The InChIKey is RDMWXBHFBQYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O5/c1-5-18-6-11(9(3)16-18)8(2)15-12(22)7-19-10(4)13(20(23)24)14(17-19)21(25)26/h6,8H,5,7H2,1-4H3,(H,15,22).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide has a molecular weight of 365.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19529949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).