1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C17H30F3N3O3 — CID 3600313

IUPAC1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)N(CC(O)COC(C)(C)C)CC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H30F3N3O3/c1-12(2)22(9-14(25)11-26-16(3,4)5)8-13(24)10-23-7-6-15(21-23)17(18,19)20/h6-7,12-14,24-25H,8-11H2,1-5H3
InChIKeyUCFIXMNIZBHSBR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.15
Rot. Bonds9

About 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 3600313) has the molecular formula C17H30F3N3O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID3600313
Molecular FormulaC17H30F3N3O3
Molecular Weight381.44 g/mol
Exact Mass381.22
IUPAC Name1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)N(CC(O)COC(C)(C)C)CC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H30F3N3O3/c1-12(2)22(9-14(25)11-26-16(3,4)5)8-13(24)10-23-7-6-15(21-23)17(18,19)20/h6-7,12-14,24-25H,8-11H2,1-5H3
InChIKeyUCFIXMNIZBHSBR-UHFFFAOYSA-N
XLogP2.15
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 3600313) is 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(C)N(CC(O)COC(C)(C)C)CC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is UCFIXMNIZBHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O3/c1-12(2)22(9-14(25)11-26-16(3,4)5)8-13(24)10-23-7-6-15(21-23)17(18,19)20/h6-7,12-14,24-25H,8-11H2,1-5H3.
What are the key properties of 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 381.44 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 3600313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).