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

C11H19N5O3 — CID 103080082

IUPAC3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-8(2)6-13-10(17)4-5-12-11-9(16(18)19)7-15(3)14-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,17)
InChIKeyFNJKTUPOKIZVGI-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.90
Rot. Bonds7

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

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 103080082) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID103080082
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-8(2)6-13-10(17)4-5-12-11-9(16(18)19)7-15(3)14-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,17)
InChIKeyFNJKTUPOKIZVGI-UHFFFAOYSA-N
XLogP0.90
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.90
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

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
CID 107153465
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103080085
5-methyl-3-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]hexanoic acid
CID 103079354
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
3-(4-fluoro-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 114449280
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide (CID 103080082) is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is FNJKTUPOKIZVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8(2)6-13-10(17)4-5-12-11-9(16(18)19)7-15(3)14-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,17).
What are the key properties of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103080082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).