1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine

C12H16N4O — CID 55205458

IUPAC1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCCc2ccccn2)n1
InChIInChI=1S/C12H16N4O/c13-12-4-7-16(15-12)8-10-17-9-5-11-3-1-2-6-14-11/h1-4,6-7H,5,8-10H2,(H2,13,15)
InChIKeyFUGYGDZRTRCBHB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.12
Rot. Bonds6

About 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine

1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine (PubChem CID 55205458) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
PubChem CID55205458
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCCc2ccccn2)n1
InChIInChI=1S/C12H16N4O/c13-12-4-7-16(15-12)8-10-17-9-5-11-3-1-2-6-14-11/h1-4,6-7H,5,8-10H2,(H2,13,15)
InChIKeyFUGYGDZRTRCBHB-UHFFFAOYSA-N
XLogP1.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyridin-2-ylsulfanylethyl)pyrazol-3-amine
CID 63316039
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
CID 63311244
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
CID 130834125
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
CID 171718919
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine (CID 55205458) is 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOCCc2ccccn2)n1.
What is the InChIKey of 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine?
The InChIKey is FUGYGDZRTRCBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-12-4-7-16(15-12)8-10-17-9-5-11-3-1-2-6-14-11/h1-4,6-7H,5,8-10H2,(H2,13,15).
What are the key properties of 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine?
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 55205458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).