3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine

C11H18F3N3O — CID 114228613

IUPAC3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
SMILESCNC(Cn1cc(C(F)(F)F)cn1)C(C)(C)OC
InChIInChI=1S/C11H18F3N3O/c1-10(2,18-4)9(15-3)7-17-6-8(5-16-17)11(12,13)14/h5-6,9,15H,7H2,1-4H3
InChIKeyVCZXTJJIKXABRN-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.91
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine

3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine (PubChem CID 114228613) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
PubChem CID114228613
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
SMILESCNC(Cn1cc(C(F)(F)F)cn1)C(C)(C)OC
InChIInChI=1S/C11H18F3N3O/c1-10(2,18-4)9(15-3)7-17-6-8(5-16-17)11(12,13)14/h5-6,9,15H,7H2,1-4H3
InChIKeyVCZXTJJIKXABRN-UHFFFAOYSA-N
XLogP1.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine
CID 25218861
4-Methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole
CID 122581319
4-Methyl-1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrazole
CID 131995053
N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406
1-[2-(Difluoromethoxy)-2-methylpropyl]-4-methylpyrazole
CID 172621906
1-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 53524069
3-(4-methylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 53575449
1-(4-methylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 53607175
N-[(1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962235
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]ethanamine
CID 55109027
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
CID 55109028

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine (CID 114228613) is 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine is CNC(Cn1cc(C(F)(F)F)cn1)C(C)(C)OC.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine?
The InChIKey is VCZXTJJIKXABRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-10(2,18-4)9(15-3)7-17-6-8(5-16-17)11(12,13)14/h5-6,9,15H,7H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine?
3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-[4-(trifluoromethyl)pyrazol-1-yl]butan-2-amine is sourced from PubChem (CID 114228613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).