2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C13H23N3O3 — CID 55234277

IUPAC2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCOC(CNC1CCCc2c1cnn2CCO)OC
InChIInChI=1S/C13H23N3O3/c1-18-13(19-2)9-14-11-4-3-5-12-10(11)8-15-16(12)6-7-17/h8,11,13-14,17H,3-7,9H2,1-2H3
InChIKeyQPMSDIMGIXYTAP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.46
Rot. Bonds7

About 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 55234277) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID55234277
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCOC(CNC1CCCc2c1cnn2CCO)OC
InChIInChI=1S/C13H23N3O3/c1-18-13(19-2)9-14-11-4-3-5-12-10(11)8-15-16(12)6-7-17/h8,11,13-14,17H,3-7,9H2,1-2H3
InChIKeyQPMSDIMGIXYTAP-UHFFFAOYSA-N
XLogP0.46
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 136579125
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
2-[4-[(3-ethylimidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 66132580
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80560605
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 55234277) is 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is COC(CNC1CCCc2c1cnn2CCO)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is QPMSDIMGIXYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-18-13(19-2)9-14-11-4-3-5-12-10(11)8-15-16(12)6-7-17/h8,11,13-14,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 269.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 55234277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).