[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine

C15H18F3N3 — CID 171469169

IUPAC[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc3cc(C(F)(F)F)ccc3n2)CC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)12-3-6-14-11(7-12)9-21(20-14)13-4-1-10(8-19)2-5-13/h3,6-7,9-10,13H,1-2,4-5,8,19H2
InChIKeyCZCUSBVTAKFGAF-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.75
Rot. Bonds2

About [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine

[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine (PubChem CID 171469169) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine
PubChem CID171469169
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc3cc(C(F)(F)F)ccc3n2)CC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)12-3-6-14-11(7-12)9-21(20-14)13-4-1-10(8-19)2-5-13/h3,6-7,9-10,13H,1-2,4-5,8,19H2
InChIKeyCZCUSBVTAKFGAF-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine (CID 171469169) is [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine is NCC1CCC(n2cc3cc(C(F)(F)F)ccc3n2)CC1.
What is the InChIKey of [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine?
The InChIKey is CZCUSBVTAKFGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)12-3-6-14-11(7-12)9-21(20-14)13-4-1-10(8-19)2-5-13/h3,6-7,9-10,13H,1-2,4-5,8,19H2.
What are the key properties of [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine?
[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine has a molecular weight of 297.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine is sourced from PubChem (CID 171469169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).