[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine

C12H15F6N3 — CID 122456123

IUPAC[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
SMILESNCc1cn(C2CCC(C(F)(F)F)CC2)nc1C(F)(F)F
InChIInChI=1S/C12H15F6N3/c13-11(14,15)8-1-3-9(4-2-8)21-6-7(5-19)10(20-21)12(16,17)18/h6,8-9H,1-5,19H2
InChIKeyLHPCLVVTVYRXSC-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.65
Rot. Bonds2

About [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine

[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine (PubChem CID 122456123) has the molecular formula C12H15F6N3 and a molecular weight of 315.26 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
PubChem CID122456123
Molecular FormulaC12H15F6N3
Molecular Weight315.26 g/mol
Exact Mass315.12
IUPAC Name[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
SMILESNCc1cn(C2CCC(C(F)(F)F)CC2)nc1C(F)(F)F
InChIInChI=1S/C12H15F6N3/c13-11(14,15)8-1-3-9(4-2-8)21-6-7(5-19)10(20-21)12(16,17)18/h6,8-9H,1-5,19H2
InChIKeyLHPCLVVTVYRXSC-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 57640345
4-(Chloromethyl)-1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
CID 58020737
4-(Chloromethyl)-1-cyclohexyl-3-(trifluoromethyl)pyrazole
CID 58020812
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66441328
[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 70855967
[1-Cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 70856245
[1-Cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 70856313
1-(Cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
CID 70919594
ethyl({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl})amine
CID 83814207
1-[[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
CID 90162152

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine (CID 122456123) is [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine is NCc1cn(C2CCC(C(F)(F)F)CC2)nc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The InChIKey is LHPCLVVTVYRXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6N3/c13-11(14,15)8-1-3-9(4-2-8)21-6-7(5-19)10(20-21)12(16,17)18/h6,8-9H,1-5,19H2.
What are the key properties of [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine has a molecular weight of 315.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 122456123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).