2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

C14H24F3N3O — CID 64811982

IUPAC2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H24F3N3O/c1-11(2)18-13(3,10-21)7-4-5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,4-5,7-8,10H2,1-3H3
InChIKeyYJIHLBRXWBZWAE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.82
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (PubChem CID 64811982) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
PubChem CID64811982
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H24F3N3O/c1-11(2)18-13(3,10-21)7-4-5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,4-5,7-8,10H2,1-3H3
InChIKeyYJIHLBRXWBZWAE-UHFFFAOYSA-N
XLogP2.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (CID 64811982) is 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is CC(C)NC(C)(CO)CCCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The InChIKey is YJIHLBRXWBZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-11(2)18-13(3,10-21)7-4-5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is sourced from PubChem (CID 64811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).