(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol

C11H17N3O — CID 83909024

IUPAC(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol
SMILESNC1(CO)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H17N3O/c12-11(6-15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14)
InChIKeyBKBUYNROCRUYMR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds2

About (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol

(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol (PubChem CID 83909024) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol
PubChem CID83909024
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol
SMILESNC1(CO)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H17N3O/c12-11(6-15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14)
InChIKeyBKBUYNROCRUYMR-UHFFFAOYSA-N
XLogP0.77
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol?
The IUPAC name of (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol (CID 83909024) is (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol.
What is the SMILES notation for (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol?
The canonical SMILES for (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol is NC1(CO)CCCc2[nH]nc(C3CC3)c21.
What is the InChIKey of (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol?
The InChIKey is BKBUYNROCRUYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(6-15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14).
What are the key properties of (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol?
(4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol has a molecular weight of 207.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-yl)methanol is sourced from PubChem (CID 83909024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).