3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide

C10H16N4O4 — CID 19558098

IUPAC3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCOc1nn(CCC(=O)NC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-7(2)11-9(15)4-5-13-6-8(14(16)17)10(12-13)18-3/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyRXUNTHNIXLPKLV-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide

3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 19558098) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID19558098
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCOc1nn(CCC(=O)NC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-7(2)11-9(15)4-5-13-6-8(14(16)17)10(12-13)18-3/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyRXUNTHNIXLPKLV-UHFFFAOYSA-N
XLogP0.71
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
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'}

Analyze 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide 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

2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
3-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19558171
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558273
N-(2-hydroxy-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558283
N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558140
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19557989
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558144
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
methyl 5-carbamoyl-2-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19558064
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide (CID 19558098) is 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide is COc1nn(CCC(=O)NC(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is RXUNTHNIXLPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7(2)11-9(15)4-5-13-6-8(14(16)17)10(12-13)18-3/h6-7H,4-5H2,1-3H3,(H,11,15).
What are the key properties of 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 256.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 19558098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).