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

C16H23N3O2 — CID 62632545

IUPAC2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCC(NC1CCCc2c1cnn2CCO)c1ccco1
InChIInChI=1S/C16H23N3O2/c1-2-13(16-7-4-10-21-16)18-14-5-3-6-15-12(14)11-17-19(15)8-9-20/h4,7,10-11,13-14,18,20H,2-3,5-6,8-9H2,1H3
InChIKeyRQJQKVIEMXZXJU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds6

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

2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 62632545) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID62632545
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCC(NC1CCCc2c1cnn2CCO)c1ccco1
InChIInChI=1S/C16H23N3O2/c1-2-13(16-7-4-10-21-16)18-14-5-3-6-15-12(14)11-17-19(15)8-9-20/h4,7,10-11,13-14,18,20H,2-3,5-6,8-9H2,1H3
InChIKeyRQJQKVIEMXZXJU-UHFFFAOYSA-N
XLogP2.59
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 62632545) is 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CCC(NC1CCCc2c1cnn2CCO)c1ccco1.
What is the InChIKey of 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is RQJQKVIEMXZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-13(16-7-4-10-21-16)18-14-5-3-6-15-12(14)11-17-19(15)8-9-20/h4,7,10-11,13-14,18,20H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 62632545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).