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

C6H9F2N3O — CID 166164109

IUPAC(2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
SMILESN[C@@H](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/t4-/m0/s1
InChIKeyOHLCTRDWIPVVAX-BYPYZUCNSA-N
MW177.15 g/mol
LogP0.27
Rot. Bonds3

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

(2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol (PubChem CID 166164109) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
PubChem CID166164109
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name(2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
SMILESN[C@@H](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/t4-/m0/s1
InChIKeyOHLCTRDWIPVVAX-BYPYZUCNSA-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 (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol (CID 166164109) is (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol is N[C@@H](CO)c1ccn(C(F)F)n1.
What is the InChIKey of (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
The InChIKey is OHLCTRDWIPVVAX-BYPYZUCNSA-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/t4-/m0/s1.
What are the key properties of (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol?
(2R)-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 (2R)-2-amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 166164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).