1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol

C11H18F3N3O — CID 118149676

IUPAC1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
SMILESCC(O)CN(C)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-9(18)8-16(2)5-3-6-17-7-4-10(15-17)11(12,13)14/h4,7,9,18H,3,5-6,8H2,1-2H3
InChIKeyAJIDYYYLKMSECE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.60
Rot. Bonds6

About 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol

1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol (PubChem CID 118149676) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
PubChem CID118149676
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
SMILESCC(O)CN(C)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-9(18)8-16(2)5-3-6-17-7-4-10(15-17)11(12,13)14/h4,7,9,18H,3,5-6,8H2,1-2H3
InChIKeyAJIDYYYLKMSECE-UHFFFAOYSA-N
XLogP1.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol (CID 118149676) is 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol is CC(O)CN(C)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol?
The InChIKey is AJIDYYYLKMSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(18)8-16(2)5-3-6-17-7-4-10(15-17)11(12,13)14/h4,7,9,18H,3,5-6,8H2,1-2H3.
What are the key properties of 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol?
1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol has a molecular weight of 265.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol is sourced from PubChem (CID 118149676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).