2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol

C7H10F3N3O — CID 112713673

IUPAC2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(C(F)(F)F)cc1C(O)CN
InChIInChI=1S/C7H10F3N3O/c1-4-5(6(14)2-11)3-13(12-4)7(8,9)10/h3,6,14H,2,11H2,1H3
InChIKeyMWUUXEIVIBXZSC-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.66
Rot. Bonds2

About 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol

2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 112713673) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID112713673
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(C(F)(F)F)cc1C(O)CN
InChIInChI=1S/C7H10F3N3O/c1-4-5(6(14)2-11)3-13(12-4)7(8,9)10/h3,6,14H,2,11H2,1H3
InChIKeyMWUUXEIVIBXZSC-UHFFFAOYSA-N
XLogP0.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 112713673) is 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol is Cc1nn(C(F)(F)F)cc1C(O)CN.
What is the InChIKey of 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is MWUUXEIVIBXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4-5(6(14)2-11)3-13(12-4)7(8,9)10/h3,6,14H,2,11H2,1H3.
What are the key properties of 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 112713673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).