2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

C13H14F3N3O — CID 79770392

IUPAC2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCn1cc(NCC(O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-8-11(6-18-19)17-7-12(20)9-3-2-4-10(5-9)13(14,15)16/h2-6,8,12,17,20H,7H2,1H3
InChIKeyOSWNJUVATMHGFM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.58
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 79770392) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID79770392
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCn1cc(NCC(O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-8-11(6-18-19)17-7-12(20)9-3-2-4-10(5-9)13(14,15)16/h2-6,8,12,17,20H,7H2,1H3
InChIKeyOSWNJUVATMHGFM-UHFFFAOYSA-N
XLogP2.58
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
CID 60897660
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 97227808
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 79770392) is 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is Cn1cc(NCC(O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OSWNJUVATMHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-8-11(6-18-19)17-7-12(20)9-3-2-4-10(5-9)13(14,15)16/h2-6,8,12,17,20H,7H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 285.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 79770392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).