O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine

C7H12N4O3 — CID 79427038

IUPACO-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1ON
InChIInChI=1S/C7H12N4O3/c1-3-4-10-7(14-8)6(11(12)13)5(2)9-10/h3-4,8H2,1-2H3
InChIKeyRIUWGWALOXMRMD-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.76
Rot. Bonds4

About O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine

O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine (PubChem CID 79427038) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
PubChem CID79427038
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameO-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1ON
InChIInChI=1S/C7H12N4O3/c1-3-4-10-7(14-8)6(11(12)13)5(2)9-10/h3-4,8H2,1-2H3
InChIKeyRIUWGWALOXMRMD-UHFFFAOYSA-N
XLogP0.76
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.76
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'}

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Related Compounds

3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
CID 66029010
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028601
N-[2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyethyl]propan-2-amine
CID 66027077
[4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenyl]methanol
CID 79870004
N-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyaniline
CID 66029957
2-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028409
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxy-N-propan-2-ylpropan-1-amine
CID 66027269
3-bromo-5-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxypyridine
CID 66012912
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
CID 102635252

Frequently Asked Questions

What is the IUPAC name of O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine?
The IUPAC name of O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine (CID 79427038) is O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine.
What is the SMILES notation for O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine?
The canonical SMILES for O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine is CCCn1nc(C)c([N+](=O)[O-])c1ON.
What is the InChIKey of O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine?
The InChIKey is RIUWGWALOXMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-3-4-10-7(14-8)6(11(12)13)5(2)9-10/h3-4,8H2,1-2H3.
What are the key properties of O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine?
O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine has a molecular weight of 200.20 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine is sourced from PubChem (CID 79427038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).