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

C5H8N4O3 — CID 14884177

IUPAC2-(5-amino-4-nitropyrazol-1-yl)ethanol
SMILESNc1c([N+](=O)[O-])cnn1CCO
InChIInChI=1S/C5H8N4O3/c6-5-4(9(11)12)3-7-8(5)1-2-10/h3,10H,1-2,6H2
InChIKeyPJNFNECAWOORKB-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.63
Rot. Bonds3

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

2-(5-amino-4-nitropyrazol-1-yl)ethanol (PubChem CID 14884177) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(5-amino-4-nitropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-4-nitropyrazol-1-yl)ethanol
PubChem CID14884177
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name2-(5-amino-4-nitropyrazol-1-yl)ethanol
SMILESNc1c([N+](=O)[O-])cnn1CCO
InChIInChI=1S/C5H8N4O3/c6-5-4(9(11)12)3-7-8(5)1-2-10/h3,10H,1-2,6H2
InChIKeyPJNFNECAWOORKB-UHFFFAOYSA-N
XLogP-0.63
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.63
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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Related Compounds

4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate
CID 11673148
1-Methyl-4-nitro-1H-pyrazol-5-amine
CID 588382
2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol
CID 10290847
1H-Pyrazol-4-amine, 1-methyl-5-nitro-
CID 588333
1-Ethyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 353773
1-ethyl-4-nitroso-1H-pyrazol-5-amine
CID 353774
1-cyclohexyl-4-nitro-1H-pyrazol-5-amine
CID 61732847
1-(2-Methoxyethyl)-4-nitropyrazol-5-amine
CID 162716457
1-(2-fluoroethyl)-4-nitroso-1H-pyrazol-5-amine
CID 21904559
2-[5-(3,3-Difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol
CID 70801825
1-(1-(2,2-difluoroethyl)-4-nitro-1H-pyrazol-5-yl)-1,4-diazepan-6-ol
CID 86679986
N-fluoro-4-nitro-1-pentylpyrazol-5-amine
CID 88665596

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-nitropyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-4-nitropyrazol-1-yl)ethanol (CID 14884177) is 2-(5-amino-4-nitropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-4-nitropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-4-nitropyrazol-1-yl)ethanol is Nc1c([N+](=O)[O-])cnn1CCO.
What is the InChIKey of 2-(5-amino-4-nitropyrazol-1-yl)ethanol?
The InChIKey is PJNFNECAWOORKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c6-5-4(9(11)12)3-7-8(5)1-2-10/h3,10H,1-2,6H2.
What are the key properties of 2-(5-amino-4-nitropyrazol-1-yl)ethanol?
2-(5-amino-4-nitropyrazol-1-yl)ethanol has a molecular weight of 172.14 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-nitropyrazol-1-yl)ethanol is sourced from PubChem (CID 14884177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).