N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine

C14H20F3N3 — CID 170215669

IUPACN-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESFC(F)(F)c1n[nH]c2c1CCC(NC1CCCCC1)C2
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-11-7-6-10(8-12(11)19-20-13)18-9-4-2-1-3-5-9/h9-10,18H,1-8H2,(H,19,20)
InChIKeyPJFDUHFSNOALCV-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.21
Rot. Bonds2

About N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine

N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine (PubChem CID 170215669) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
PubChem CID170215669
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESFC(F)(F)c1n[nH]c2c1CCC(NC1CCCCC1)C2
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-11-7-6-10(8-12(11)19-20-13)18-9-4-2-1-3-5-9/h9-10,18H,1-8H2,(H,19,20)
InChIKeyPJFDUHFSNOALCV-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The IUPAC name of N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine (CID 170215669) is N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine.
What is the SMILES notation for N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The canonical SMILES for N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine is FC(F)(F)c1n[nH]c2c1CCC(NC1CCCCC1)C2.
What is the InChIKey of N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The InChIKey is PJFDUHFSNOALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)13-11-7-6-10(8-12(11)19-20-13)18-9-4-2-1-3-5-9/h9-10,18H,1-8H2,(H,19,20).
What are the key properties of N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine has a molecular weight of 287.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine is sourced from PubChem (CID 170215669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).