O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine

C7H12N4O3 — CID 79426492

IUPACO-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
SMILESCC(C)c1nn(C)c(ON)c1[N+](=O)[O-]
InChIInChI=1S/C7H12N4O3/c1-4(2)5-6(11(12)13)7(14-8)10(3)9-5/h4H,8H2,1-3H3
InChIKeyBVKXCHWUZADRRE-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.70
Rot. Bonds3

About O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine

O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine (PubChem CID 79426492) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
PubChem CID79426492
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameO-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
SMILESCC(C)c1nn(C)c(ON)c1[N+](=O)[O-]
InChIInChI=1S/C7H12N4O3/c1-4(2)5-6(11(12)13)7(14-8)10(3)9-5/h4H,8H2,1-3H3
InChIKeyBVKXCHWUZADRRE-UHFFFAOYSA-N
XLogP0.70
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.70
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 O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine?
The IUPAC name of O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine (CID 79426492) is O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine.
What is the SMILES notation for O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine?
The canonical SMILES for O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine is CC(C)c1nn(C)c(ON)c1[N+](=O)[O-].
What is the InChIKey of O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine?
The InChIKey is BVKXCHWUZADRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(2)5-6(11(12)13)7(14-8)10(3)9-5/h4H,8H2,1-3H3.
What are the key properties of O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine?
O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine has a molecular weight of 200.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine is sourced from PubChem (CID 79426492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).