2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C14H21BrF3N3 — CID 105161017

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nn(C)c(CC(N)C2CCCC(C(F)(F)F)C2)c1Br
InChIInChI=1S/C14H21BrF3N3/c1-8-13(15)12(21(2)20-8)7-11(19)9-4-3-5-10(6-9)14(16,17)18/h9-11H,3-7,19H2,1-2H3
InChIKeyYZEZEKCIJCFVPN-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105161017) has the molecular formula C14H21BrF3N3 and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105161017
Molecular FormulaC14H21BrF3N3
Molecular Weight368.24 g/mol
Exact Mass367.09
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nn(C)c(CC(N)C2CCCC(C(F)(F)F)C2)c1Br
InChIInChI=1S/C14H21BrF3N3/c1-8-13(15)12(21(2)20-8)7-11(19)9-4-3-5-10(6-9)14(16,17)18/h9-11H,3-7,19H2,1-2H3
InChIKeyYZEZEKCIJCFVPN-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105159105
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105110799
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105317779
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79973730
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105160973
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
CID 79954429

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105161017) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is Cc1nn(C)c(CC(N)C2CCCC(C(F)(F)F)C2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is YZEZEKCIJCFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF3N3/c1-8-13(15)12(21(2)20-8)7-11(19)9-4-3-5-10(6-9)14(16,17)18/h9-11H,3-7,19H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 368.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105161017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).