2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol

C6H10N4O3 — CID 83443085

IUPAC2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol
SMILESCn1ncc([N+](=O)[O-])c1C(O)CN
InChIInChI=1S/C6H10N4O3/c1-9-6(5(11)2-7)4(3-8-9)10(12)13/h3,5,11H,2,7H2,1H3
InChIKeyKYYPSLVGYRKCNK-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.68
Rot. Bonds3

About 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol

2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol (PubChem CID 83443085) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol
PubChem CID83443085
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol
SMILESCn1ncc([N+](=O)[O-])c1C(O)CN
InChIInChI=1S/C6H10N4O3/c1-9-6(5(11)2-7)4(3-8-9)10(12)13/h3,5,11H,2,7H2,1H3
InChIKeyKYYPSLVGYRKCNK-UHFFFAOYSA-N
XLogP-0.68
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
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-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol (CID 83443085) is 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol is Cn1ncc([N+](=O)[O-])c1C(O)CN.
What is the InChIKey of 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol?
The InChIKey is KYYPSLVGYRKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-9-6(5(11)2-7)4(3-8-9)10(12)13/h3,5,11H,2,7H2,1H3.
What are the key properties of 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol?
2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol has a molecular weight of 186.17 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol is sourced from PubChem (CID 83443085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).