1-(2,2-difluoroethyl)pyrazole-3,4-diamine

C5H8F2N4 — CID 66509523

IUPAC1-(2,2-difluoroethyl)pyrazole-3,4-diamine
SMILESNc1cn(CC(F)F)nc1N
InChIInChI=1S/C5H8F2N4/c6-4(7)2-11-1-3(8)5(9)10-11/h1,4H,2,8H2,(H2,9,10)
InChIKeyLAANYDXEGIGUEW-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.31
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrazole-3,4-diamine

1-(2,2-difluoroethyl)pyrazole-3,4-diamine (PubChem CID 66509523) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazole-3,4-diamine
PubChem CID66509523
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name1-(2,2-difluoroethyl)pyrazole-3,4-diamine
SMILESNc1cn(CC(F)F)nc1N
InChIInChI=1S/C5H8F2N4/c6-4(7)2-11-1-3(8)5(9)10-11/h1,4H,2,8H2,(H2,9,10)
InChIKeyLAANYDXEGIGUEW-UHFFFAOYSA-N
XLogP0.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazole-3,4-diamine (CID 66509523) is 1-(2,2-difluoroethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazole-3,4-diamine is Nc1cn(CC(F)F)nc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazole-3,4-diamine?
The InChIKey is LAANYDXEGIGUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-4(7)2-11-1-3(8)5(9)10-11/h1,4H,2,8H2,(H2,9,10).
What are the key properties of 1-(2,2-difluoroethyl)pyrazole-3,4-diamine?
1-(2,2-difluoroethyl)pyrazole-3,4-diamine has a molecular weight of 162.14 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 66509523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).