N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide

C11H19N5O3 — CID 66012011

IUPACN-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C11H19N5O3/c1-5-12-11(17)8(4)13-10-9(16(18)19)7(3)14-15(10)6-2/h8,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyYKILOFBSYLNHGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.06
Rot. Bonds6

About N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide

N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide (PubChem CID 66012011) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
PubChem CID66012011
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC NameN-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C11H19N5O3/c1-5-12-11(17)8(4)13-10-9(16(18)19)7(3)14-15(10)6-2/h8,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyYKILOFBSYLNHGF-UHFFFAOYSA-N
XLogP1.06
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methoxypropanoic acid
CID 81078597
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
N-but-3-yn-2-yl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 114417991
methyl 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-hydroxypropanoate
CID 66012853
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66012374
1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
CID 66011430
1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
CID 66011416
4-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]pentanoic acid
CID 66012323
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
CID 54950283
N-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]acetamide
CID 66012195
1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
CID 66012792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide (CID 66012011) is N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide is CCNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1CC.
What is the InChIKey of N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide?
The InChIKey is YKILOFBSYLNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-5-12-11(17)8(4)13-10-9(16(18)19)7(3)14-15(10)6-2/h8,13H,5-6H2,1-4H3,(H,12,17).
What are the key properties of N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide?
N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide has a molecular weight of 269.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide is sourced from PubChem (CID 66012011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).