2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol

C7H11F2N3O — CID 130495240

IUPAC2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol
SMILESCC(F)(F)c1cc(N)n(CCO)n1
InChIInChI=1S/C7H11F2N3O/c1-7(8,9)5-4-6(10)12(11-5)2-3-13/h4,13H,2-3,10H2,1H3
InChIKeyMMTUMRFRKNVCBC-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.57
Rot. Bonds3

About 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol (PubChem CID 130495240) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol
PubChem CID130495240
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol
SMILESCC(F)(F)c1cc(N)n(CCO)n1
InChIInChI=1S/C7H11F2N3O/c1-7(8,9)5-4-6(10)12(11-5)2-3-13/h4,13H,2-3,10H2,1H3
InChIKeyMMTUMRFRKNVCBC-UHFFFAOYSA-N
XLogP0.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol (CID 130495240) is 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol is CC(F)(F)c1cc(N)n(CCO)n1.
What is the InChIKey of 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol?
The InChIKey is MMTUMRFRKNVCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-7(8,9)5-4-6(10)12(11-5)2-3-13/h4,13H,2-3,10H2,1H3.
What are the key properties of 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol has a molecular weight of 191.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(1,1-difluoroethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 130495240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).