2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol

C13H19N9O6 — CID 159607238

IUPAC2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol
SMILESNc1cnn(CCO)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(CCO)c1
InChIInChI=1S/C5H7N3O3.C5H9N3O.C3H3N3O2/c9-2-1-7-4-5(3-6-7)8(10)11;6-5-3-7-8(4-5)1-2-9;7-6(8)3-1-4-5-2-3/h3-4,9H,1-2H2;3-4,9H,1-2,6H2;1-2H,(H,4,5)
InChIKeyMMFTYPUCWMEVMS-UHFFFAOYSA-N
MW397.35 g/mol
LogP-0.44
Rot. Bonds6

About 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol

2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol (PubChem CID 159607238) has the molecular formula C13H19N9O6 and a molecular weight of 397.35 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol
PubChem CID159607238
Molecular FormulaC13H19N9O6
Molecular Weight397.35 g/mol
Exact Mass397.15
IUPAC Name2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol
SMILESNc1cnn(CCO)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(CCO)c1
InChIInChI=1S/C5H7N3O3.C5H9N3O.C3H3N3O2/c9-2-1-7-4-5(3-6-7)8(10)11;6-5-3-7-8(4-5)1-2-9;7-6(8)3-1-4-5-2-3/h3-4,9H,1-2H2;3-4,9H,1-2,6H2;1-2H,(H,4,5)
InChIKeyMMFTYPUCWMEVMS-UHFFFAOYSA-N
XLogP-0.44
TPSA217.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]propan-2-one;4-nitro-1H-pyrazole;1-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]propan-2-one;2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 159548603
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
1-ethenyl-4-nitropyrazole;4-nitro-1H-pyrazole
CID 158547215
1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol
CID 162086234
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 138694115
1-butyl-4-nitropyrazole
CID 50999673
[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
CID 66765542
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
1-(nitromethyl)pyrazol-4-amine
CID 175963511
4-nitro-1-octylpyrazole
CID 50999936
5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 154805233

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol (CID 159607238) is 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol is Nc1cnn(CCO)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(CCO)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol?
The InChIKey is MMFTYPUCWMEVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3.C5H9N3O.C3H3N3O2/c9-2-1-7-4-5(3-6-7)8(10)11;6-5-3-7-8(4-5)1-2-9;7-6(8)3-1-4-5-2-3/h3-4,9H,1-2H2;3-4,9H,1-2,6H2;1-2H,(H,4,5).
What are the key properties of 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol?
2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol has a molecular weight of 397.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol is sourced from PubChem (CID 159607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).