N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3N3 — CID 105148778

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccnn1C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-17-12(11-7-8-18-19(11)2)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,17H,3-6H2,1-2H3
InChIKeyLJBQUWGIYBNJPX-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105148778) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105148778
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccnn1C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-17-12(11-7-8-18-19(11)2)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,17H,3-6H2,1-2H3
InChIKeyLJBQUWGIYBNJPX-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
N-methyl-1-(2-methylpyrazol-3-yl)-1-(oxolan-3-yl)methanamine
CID 65330463
[(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232404
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858379
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
2-cyclopropyl-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83828119
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105148778) is N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1ccnn1C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is LJBQUWGIYBNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-17-12(11-7-8-18-19(11)2)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,17H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105148778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).