1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine

C15H22F3N3 — CID 43730478

IUPAC1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3/c1-21-14-4-2-3-13(12(14)9-19-21)20-11-7-5-10(6-8-11)15(16,17)18/h9-11,13,20H,2-8H2,1H3
InChIKeyKHZDIRSFPXHJSB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.51
Rot. Bonds2

About 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43730478) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43730478
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3/c1-21-14-4-2-3-13(12(14)9-19-21)20-11-7-5-10(6-8-11)15(16,17)18/h9-11,13,20H,2-8H2,1H3
InChIKeyKHZDIRSFPXHJSB-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43730478) is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KHZDIRSFPXHJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-21-14-4-2-3-13(12(14)9-19-21)20-11-7-5-10(6-8-11)15(16,17)18/h9-11,13,20H,2-8H2,1H3.
What are the key properties of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 301.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43730478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).