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

C12H12F3N3O2 — CID 65362159

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)20-8-3-1-7(2-4-8)5-10(19)9-6-17-18-11(9)16/h1-4,6,10,19H,5H2,(H3,16,17,18)
InChIKeyLUSUEYHDCKNESL-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.17
Rot. Bonds4

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

1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 65362159) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID65362159
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)20-8-3-1-7(2-4-8)5-10(19)9-6-17-18-11(9)16/h1-4,6,10,19H,5H2,(H3,16,17,18)
InChIKeyLUSUEYHDCKNESL-UHFFFAOYSA-N
XLogP2.17
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 65362159) is 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is Nc1[nH]ncc1C(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is LUSUEYHDCKNESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)20-8-3-1-7(2-4-8)5-10(19)9-6-17-18-11(9)16/h1-4,6,10,19H,5H2,(H3,16,17,18).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 287.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 65362159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).