(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine

C6H9F2N3 — CID 166163973

IUPAC(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
SMILESC[C@@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-4(9)5-2-3-11(10-5)6(7)8/h2-4,6H,9H2,1H3/t4-/m1/s1
InChIKeyGIBZJQLTQOQEOB-SCSAIBSYSA-N
MW161.16 g/mol
LogP1.30
Rot. Bonds2

About (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine

(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine (PubChem CID 166163973) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
PubChem CID166163973
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
SMILESC[C@@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-4(9)5-2-3-11(10-5)6(7)8/h2-4,6H,9H2,1H3/t4-/m1/s1
InChIKeyGIBZJQLTQOQEOB-SCSAIBSYSA-N
XLogP1.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine (CID 166163973) is (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine is C[C@@H](N)c1ccn(C(F)F)n1.
What is the InChIKey of (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The InChIKey is GIBZJQLTQOQEOB-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4(9)5-2-3-11(10-5)6(7)8/h2-4,6H,9H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine has a molecular weight of 161.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 166163973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).