2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

C12H20F3N3O — CID 64811507

IUPAC2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H20F3N3O/c1-11(9-19,16-2)5-3-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3
InChIKeyYZVFZEWNIHTQSG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (PubChem CID 64811507) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
PubChem CID64811507
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H20F3N3O/c1-11(9-19,16-2)5-3-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3
InChIKeyYZVFZEWNIHTQSG-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
1-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64809657
1-pent-4-ynyl-4-(trifluoromethyl)pyrazole
CID 115872260
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64810706
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
methyl 2-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]but-2-enoate
CID 77101183
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811325
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropyl)pyrazole
CID 158565632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (CID 64811507) is 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is CNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The InChIKey is YZVFZEWNIHTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-11(9-19,16-2)5-3-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol has a molecular weight of 279.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is sourced from PubChem (CID 64811507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).