N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide

C9H14N4O3 — CID 19538960

IUPACN-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C9H14N4O3/c1-4-10-9(14)7(3)12-6(2)5-8(11-12)13(15)16/h5,7H,4H2,1-3H3,(H,10,14)
InChIKeyNPXNZQQEBHVIPH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.80
Rot. Bonds4

About N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 19538960) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID19538960
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C9H14N4O3/c1-4-10-9(14)7(3)12-6(2)5-8(11-12)13(15)16/h5,7H,4H2,1-3H3,(H,10,14)
InChIKeyNPXNZQQEBHVIPH-UHFFFAOYSA-N
XLogP0.80
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.80
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-ethyl-2-(5-methyl-3-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

N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538770
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538903
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 7026070
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19585185
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 19538960) is N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is CCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C.
What is the InChIKey of N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is NPXNZQQEBHVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-4-10-9(14)7(3)12-6(2)5-8(11-12)13(15)16/h5,7H,4H2,1-3H3,(H,10,14).
What are the key properties of N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19538960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).