2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

C13H22N4O4 — CID 19564176

IUPAC2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H22N4O4/c1-10(2)21-6-4-5-14-13(18)11(3)8-16-9-12(7-15-16)17(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyBVOSZKHCOCBEEJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.36
Rot. Bonds9

About 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 19564176) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID19564176
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H22N4O4/c1-10(2)21-6-4-5-14-13(18)11(3)8-16-9-12(7-15-16)17(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyBVOSZKHCOCBEEJ-UHFFFAOYSA-N
XLogP1.36
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)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

4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]butanoyl chloride
CID 19562474
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19564188
1-(4-nitropyrazol-1-yl)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760165
2-methyl-N-(4-nitrophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 19562392
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562440
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(3-propan-2-yloxypropyl)propanamide
CID 19562358
N-[(3,4-diethoxyphenyl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562533
N-(2-hydroxy-4-nitrophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19564203
ethyl (E)-3-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]but-2-enoate
CID 19564127
1-(3-butoxypropylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 115663099
N,1-dimethyl-4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxamide
CID 19564157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 19564176) is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)C(C)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is BVOSZKHCOCBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-10(2)21-6-4-5-14-13(18)11(3)8-16-9-12(7-15-16)17(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 19564176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).