2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol

C10H18N4O3 — CID 66019201

IUPAC2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol
SMILESCC(C)c1nn(C)c(N(C)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-7(2)8-9(14(16)17)10(13(4)11-8)12(3)5-6-15/h7,15H,5-6H2,1-4H3
InChIKeyQODSDFBJEQYSJF-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.88
Rot. Bonds5

About 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol

2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol (PubChem CID 66019201) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol
PubChem CID66019201
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol
SMILESCC(C)c1nn(C)c(N(C)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-7(2)8-9(14(16)17)10(13(4)11-8)12(3)5-6-15/h7,15H,5-6H2,1-4H3
InChIKeyQODSDFBJEQYSJF-UHFFFAOYSA-N
XLogP0.88
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol (CID 66019201) is 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol is CC(C)c1nn(C)c(N(C)CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol?
The InChIKey is QODSDFBJEQYSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)8-9(14(16)17)10(13(4)11-8)12(3)5-6-15/h7,15H,5-6H2,1-4H3.
What are the key properties of 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol?
2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 66019201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).