2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol

C6H9F2N3O — CID 175530504

IUPAC2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
SMILESNC(CO)c1ccn(C(F)F)n1
InChIInChI=1S/C6H9F2N3O/c7-6(8)11-2-1-5(10-11)4(9)3-12/h1-2,4,6,12H,3,9H2
InChIKeyOHLCTRDWIPVVAX-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol

2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol (PubChem CID 175530504) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
PubChem CID175530504
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
SMILESNC(CO)c1ccn(C(F)F)n1
InChIInChI=1S/C6H9F2N3O/c7-6(8)11-2-1-5(10-11)4(9)3-12/h1-2,4,6,12H,3,9H2
InChIKeyOHLCTRDWIPVVAX-UHFFFAOYSA-N
XLogP0.27
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol (CID 175530504) is 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol is NC(CO)c1ccn(C(F)F)n1.
What is the InChIKey of 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The InChIKey is OHLCTRDWIPVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c7-6(8)11-2-1-5(10-11)4(9)3-12/h1-2,4,6,12H,3,9H2.
What are the key properties of 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol has a molecular weight of 177.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 175530504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).