N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

C13H17ClN6O3 — CID 19331359

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCn1cc(Cl)c(CNC(=O)CCn2cc([N+](=O)[O-])c(C)n2)n1
InChIInChI=1S/C13H17ClN6O3/c1-3-18-7-10(14)11(17-18)6-15-13(21)4-5-19-8-12(20(22)23)9(2)16-19/h7-8H,3-6H2,1-2H3,(H,15,21)
InChIKeyMTLIYEHSPCNJNZ-UHFFFAOYSA-N
MW340.77 g/mol
LogP1.68
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19331359) has the molecular formula C13H17ClN6O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19331359
Molecular FormulaC13H17ClN6O3
Molecular Weight340.77 g/mol
Exact Mass340.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCn1cc(Cl)c(CNC(=O)CCn2cc([N+](=O)[O-])c(C)n2)n1
InChIInChI=1S/C13H17ClN6O3/c1-3-18-7-10(14)11(17-18)6-15-13(21)4-5-19-8-12(20(22)23)9(2)16-19/h7-8H,3-6H2,1-2H3,(H,15,21)
InChIKeyMTLIYEHSPCNJNZ-UHFFFAOYSA-N
XLogP1.68
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide 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

3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19294610
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19331347
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]propanamide
CID 19331361
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19333052
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19331359) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is CCn1cc(Cl)c(CNC(=O)CCn2cc([N+](=O)[O-])c(C)n2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is MTLIYEHSPCNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O3/c1-3-18-7-10(14)11(17-18)6-15-13(21)4-5-19-8-12(20(22)23)9(2)16-19/h7-8H,3-6H2,1-2H3,(H,15,21).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 340.77 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19331359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).