1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one

C8H10F2N4O — CID 177125093

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one
SMILESO=C1CNCCN1c1ccn(C(F)F)n1
InChIInChI=1S/C8H10F2N4O/c9-8(10)14-3-1-6(12-14)13-4-2-11-5-7(13)15/h1,3,8,11H,2,4-5H2
InChIKeyAFPWSJJPZBRBNZ-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.21
Rot. Bonds2

About 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one

1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one (PubChem CID 177125093) has the molecular formula C8H10F2N4O and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one
PubChem CID177125093
Molecular FormulaC8H10F2N4O
Molecular Weight216.19 g/mol
Exact Mass216.08
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one
SMILESO=C1CNCCN1c1ccn(C(F)F)n1
InChIInChI=1S/C8H10F2N4O/c9-8(10)14-3-1-6(12-14)13-4-2-11-5-7(13)15/h1,3,8,11H,2,4-5H2
InChIKeyAFPWSJJPZBRBNZ-UHFFFAOYSA-N
XLogP0.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one (CID 177125093) is 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one is O=C1CNCCN1c1ccn(C(F)F)n1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one?
The InChIKey is AFPWSJJPZBRBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O/c9-8(10)14-3-1-6(12-14)13-4-2-11-5-7(13)15/h1,3,8,11H,2,4-5H2.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one?
1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one has a molecular weight of 216.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]piperazin-2-one is sourced from PubChem (CID 177125093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).