N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide

C13H16Cl2N6O4 — CID 19516434

IUPACN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
SMILESCOc1nn(CC(=O)NCCCn2nc(C)c(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16Cl2N6O4/c1-8-11(14)12(15)20(17-8)5-3-4-16-10(22)7-19-6-9(21(23)24)13(18-19)25-2/h6H,3-5,7H2,1-2H3,(H,16,22)
InChIKeyIUTREHDURDOFRG-UHFFFAOYSA-N
MW391.22 g/mol
LogP1.82
Rot. Bonds8

About N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide (PubChem CID 19516434) has the molecular formula C13H16Cl2N6O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
PubChem CID19516434
Molecular FormulaC13H16Cl2N6O4
Molecular Weight391.22 g/mol
Exact Mass390.06
IUPAC NameN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
SMILESCOc1nn(CC(=O)NCCCn2nc(C)c(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16Cl2N6O4/c1-8-11(14)12(15)20(17-8)5-3-4-16-10(22)7-19-6-9(21(23)24)13(18-19)25-2/h6H,3-5,7H2,1-2H3,(H,16,22)
InChIKeyIUTREHDURDOFRG-UHFFFAOYSA-N
XLogP1.82
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-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

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516128
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19621086
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
N-hexyl-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522099
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557958
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19515769
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516064

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide (CID 19516434) is N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide is COc1nn(CC(=O)NCCCn2nc(C)c(Cl)c2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The InChIKey is IUTREHDURDOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N6O4/c1-8-11(14)12(15)20(17-8)5-3-4-16-10(22)7-19-6-9(21(23)24)13(18-19)25-2/h6H,3-5,7H2,1-2H3,(H,16,22).
What are the key properties of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide has a molecular weight of 391.22 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19516434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).