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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Related Compounds

2-[4-[2-[4-(Trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 142468276
2-[3-Methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 135372391
2-[5-Methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 135372596
N-(4-Methylbenzyl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamide
CID 4795609
1-({[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propan-2-ol
CID 16191963
1-Methyl-3-[3-(pyrazol-1-ylmethyl)phenyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598320
1-Benzyl-3-(trifluoromethyl)pyrazole
CID 52751125
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
2-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 85926261
[(1-Methylpyrazol-3-yl)methyl][2-(trifluoromethyl)phenyl]amine
CID 19619178
1,1,1-trifluoro-3-{3-[3-(2-pyridinyl)phenyl]-1H-pyrazol-1-yl}-2-propanol
CID 45218970
(2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 86781812

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).