[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol

C15H18F3N3O2 — CID 164567417

IUPAC[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESNc1cc2cn(C3CCC(CO)CC3)nc2cc1OC(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)23-14-6-13-10(5-12(14)19)7-21(20-13)11-3-1-9(8-22)2-4-11/h5-7,9,11,22H,1-4,8,19H2
InChIKeyWZFMUAZQDKSQQH-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.24
Rot. Bonds3

About [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol

[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol (PubChem CID 164567417) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
PubChem CID164567417
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESNc1cc2cn(C3CCC(CO)CC3)nc2cc1OC(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)23-14-6-13-10(5-12(14)19)7-21(20-13)11-3-1-9(8-22)2-4-11/h5-7,9,11,22H,1-4,8,19H2
InChIKeyWZFMUAZQDKSQQH-UHFFFAOYSA-N
XLogP3.24
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The IUPAC name of [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol (CID 164567417) is [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol is Nc1cc2cn(C3CCC(CO)CC3)nc2cc1OC(F)(F)F.
What is the InChIKey of [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The InChIKey is WZFMUAZQDKSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)23-14-6-13-10(5-12(14)19)7-21(20-13)11-3-1-9(8-22)2-4-11/h5-7,9,11,22H,1-4,8,19H2.
What are the key properties of [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol has a molecular weight of 329.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 164567417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).