2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol

C12H12F3N3O2 — CID 116628785

IUPAC2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CCO
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)10-7-11(16)18(17-10)5-6-19/h1-4,7,19H,5-6,16H2
InChIKeyCSJUSOVPNQOZFZ-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.02
Rot. Bonds4

About 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol

2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol (PubChem CID 116628785) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
PubChem CID116628785
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CCO
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)10-7-11(16)18(17-10)5-6-19/h1-4,7,19H,5-6,16H2
InChIKeyCSJUSOVPNQOZFZ-UHFFFAOYSA-N
XLogP2.02
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
CID 43348875
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
2-[5-amino-3-(3-bromo-5-fluorophenyl)pyrazol-1-yl]ethanol
CID 43248449
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 134543895
[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol
CID 156777511
2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol
CID 165492319
3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
CID 58186760
2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
CID 159160771
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
CID 134555509
2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
CID 114020305
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol (CID 116628785) is 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol is Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol?
The InChIKey is CSJUSOVPNQOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)10-7-11(16)18(17-10)5-6-19/h1-4,7,19H,5-6,16H2.
What are the key properties of 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol?
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol has a molecular weight of 287.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 116628785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).