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

C14H23N3O — CID 82592852

IUPAC2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCCC1CCCc2c1c(C1CC1)nn2CCO
InChIInChI=1S/C14H23N3O/c15-7-6-10-2-1-3-12-13(10)14(11-4-5-11)16-17(12)8-9-18/h10-11,18H,1-9,15H2
InChIKeyQUCPULNIMYDDRM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.52
Rot. Bonds5

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

2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 82592852) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID82592852
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCCC1CCCc2c1c(C1CC1)nn2CCO
InChIInChI=1S/C14H23N3O/c15-7-6-10-2-1-3-12-13(10)14(11-4-5-11)16-17(12)8-9-18/h10-11,18H,1-9,15H2
InChIKeyQUCPULNIMYDDRM-UHFFFAOYSA-N
XLogP1.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 82592852) is 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is NCCC1CCCc2c1c(C1CC1)nn2CCO.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is QUCPULNIMYDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-7-6-10-2-1-3-12-13(10)14(11-4-5-11)16-17(12)8-9-18/h10-11,18H,1-9,15H2.
What are the key properties of 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 82592852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).