3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide

C7H11N5O4 — CID 7018447

IUPAC3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
SMILESCOc1nn(CCC(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O4/c1-16-7-5(12(14)15)4-11(10-7)3-2-6(13)9-8/h4H,2-3,8H2,1H3,(H,9,13)
InChIKeyMIQNYJSUOUBBET-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.82
Rot. Bonds5

About 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide

3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide (PubChem CID 7018447) has the molecular formula C7H11N5O4 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
PubChem CID7018447
Molecular FormulaC7H11N5O4
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
SMILESCOc1nn(CCC(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O4/c1-16-7-5(12(14)15)4-11(10-7)3-2-6(13)9-8/h4H,2-3,8H2,1H3,(H,9,13)
InChIKeyMIQNYJSUOUBBET-UHFFFAOYSA-N
XLogP-0.82
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558273
N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558140
N-(2-hydroxy-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558283
methyl 5-carbamoyl-2-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19558064
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558144
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19557989
3-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19558171
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide (CID 7018447) is 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide is COc1nn(CCC(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is MIQNYJSUOUBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O4/c1-16-7-5(12(14)15)4-11(10-7)3-2-6(13)9-8/h4H,2-3,8H2,1H3,(H,9,13).
What are the key properties of 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide?
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 229.20 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7018447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).