2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H25N3O2 — CID 115712163

IUPAC2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(NC1CCCc2c1cnn2CCO)C1CCOC1
InChIInChI=1S/C15H25N3O2/c1-11(12-5-8-20-10-12)17-14-3-2-4-15-13(14)9-16-18(15)6-7-19/h9,11-12,14,17,19H,2-8,10H2,1H3
InChIKeyLOGKODMOPYWVSU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 115712163) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID115712163
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(NC1CCCc2c1cnn2CCO)C1CCOC1
InChIInChI=1S/C15H25N3O2/c1-11(12-5-8-20-10-12)17-14-3-2-4-15-13(14)9-16-18(15)6-7-19/h9,11-12,14,17,19H,2-8,10H2,1H3
InChIKeyLOGKODMOPYWVSU-UHFFFAOYSA-N
XLogP1.27
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 115712163) is 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(NC1CCCc2c1cnn2CCO)C1CCOC1.
What is the InChIKey of 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is LOGKODMOPYWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(12-5-8-20-10-12)17-14-3-2-4-15-13(14)9-16-18(15)6-7-19/h9,11-12,14,17,19H,2-8,10H2,1H3.
What are the key properties of 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 279.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 115712163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).