1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C15H15F6N3O — CID 2809228

IUPAC1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CNCc1ccc(C(F)(F)F)cc1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F6N3O/c16-14(17,18)11-3-1-10(2-4-11)7-22-8-12(25)9-24-6-5-13(23-24)15(19,20)21/h1-6,12,22,25H,7-9H2
InChIKeyAAHDYZXSWPDJTJ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.07
Rot. Bonds6

About 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 2809228) has the molecular formula C15H15F6N3O and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID2809228
Molecular FormulaC15H15F6N3O
Molecular Weight367.29 g/mol
Exact Mass367.11
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CNCc1ccc(C(F)(F)F)cc1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F6N3O/c16-14(17,18)11-3-1-10(2-4-11)7-22-8-12(25)9-24-6-5-13(23-24)15(19,20)21/h1-6,12,22,25H,7-9H2
InChIKeyAAHDYZXSWPDJTJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 2809228) is 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is OC(CNCc1ccc(C(F)(F)F)cc1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is AAHDYZXSWPDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N3O/c16-14(17,18)11-3-1-10(2-4-11)7-22-8-12(25)9-24-6-5-13(23-24)15(19,20)21/h1-6,12,22,25H,7-9H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 367.29 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 2809228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).