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

C13H21N3O — CID 82593270

IUPAC2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCC1CCCc2c1c(C1CC1)nn2CCO
InChIInChI=1S/C13H21N3O/c14-8-10-2-1-3-11-12(10)13(9-4-5-9)15-16(11)6-7-17/h9-10,17H,1-8,14H2
InChIKeyIYGCOZPYIVAXNJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds4

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

2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 82593270) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID82593270
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCC1CCCc2c1c(C1CC1)nn2CCO
InChIInChI=1S/C13H21N3O/c14-8-10-2-1-3-11-12(10)13(9-4-5-9)15-16(11)6-7-17/h9-10,17H,1-8,14H2
InChIKeyIYGCOZPYIVAXNJ-UHFFFAOYSA-N
XLogP1.13
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 82593270) is 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is NCC1CCCc2c1c(C1CC1)nn2CCO.
What is the InChIKey of 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is IYGCOZPYIVAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-8-10-2-1-3-11-12(10)13(9-4-5-9)15-16(11)6-7-17/h9-10,17H,1-8,14H2.
What are the key properties of 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 82593270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).