1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol

C20H34N8O4 — CID 162086234

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol
SMILESNc1cnn(CCN2CCCC(O)C2)c1.O=[N+]([O-])c1cnn(CCN2CCCC(O)C2)c1
InChIInChI=1S/C10H16N4O3.C10H18N4O/c15-10-2-1-3-12(8-10)4-5-13-7-9(6-11-13)14(16)17;11-9-6-12-14(7-9)5-4-13-3-1-2-10(15)8-13/h6-7,10,15H,1-5,8H2;6-7,10,15H,1-5,8,11H2
InChIKeyZCZMULNGTKNHPP-UHFFFAOYSA-N
MW450.54 g/mol
LogP0.17
Rot. Bonds7

About 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol

1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol (PubChem CID 162086234) has the molecular formula C20H34N8O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol
PubChem CID162086234
Molecular FormulaC20H34N8O4
Molecular Weight450.54 g/mol
Exact Mass450.27
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol
SMILESNc1cnn(CCN2CCCC(O)C2)c1.O=[N+]([O-])c1cnn(CCN2CCCC(O)C2)c1
InChIInChI=1S/C10H16N4O3.C10H18N4O/c15-10-2-1-3-12(8-10)4-5-13-7-9(6-11-13)14(16)17;11-9-6-12-14(7-9)5-4-13-3-1-2-10(15)8-13/h6-7,10,15H,1-5,8H2;6-7,10,15H,1-5,8,11H2
InChIKeyZCZMULNGTKNHPP-UHFFFAOYSA-N
XLogP0.17
TPSA151.74 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
CID 63171536
2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol
CID 159607238
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
1-[(2-amino-5-nitrophenyl)methyl]piperidin-3-ol
CID 62208090
5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 154805233
1-[2-(4-nitropyrazol-1-yl)ethyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 71865880
[3-methyl-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 120771644
(2S)-1-(4-nitropyrazol-1-yl)-3-[(3R)-3-piperidin-1-ylpiperidin-1-yl]propan-2-ol
CID 100838500
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine
CID 66392642
1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
CID 107403897
1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 62137875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol (CID 162086234) is 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol is Nc1cnn(CCN2CCCC(O)C2)c1.O=[N+]([O-])c1cnn(CCN2CCCC(O)C2)c1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol?
The InChIKey is ZCZMULNGTKNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3.C10H18N4O/c15-10-2-1-3-12(8-10)4-5-13-7-9(6-11-13)14(16)17;11-9-6-12-14(7-9)5-4-13-3-1-2-10(15)8-13/h6-7,10,15H,1-5,8H2;6-7,10,15H,1-5,8,11H2.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol?
1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol has a molecular weight of 450.54 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 162086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).