4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one

C15H14F2N4O3 — CID 126766706

IUPAC4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)CCN1
InChIInChI=1S/C15H14F2N4O3/c16-15(17)24-10-3-1-2-9(6-10)13-11(7-19-20-13)14(23)21-5-4-18-12(22)8-21/h1-3,6-7,15H,4-5,8H2,(H,18,22)(H,19,20)
InChIKeyPGHIECNCMOGIAJ-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.25
Rot. Bonds4

About 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one

4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one (PubChem CID 126766706) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one
PubChem CID126766706
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)CCN1
InChIInChI=1S/C15H14F2N4O3/c16-15(17)24-10-3-1-2-9(6-10)13-11(7-19-20-13)14(23)21-5-4-18-12(22)8-21/h1-3,6-7,15H,4-5,8H2,(H,18,22)(H,19,20)
InChIKeyPGHIECNCMOGIAJ-UHFFFAOYSA-N
XLogP1.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one (CID 126766706) is 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)CCN1.
What is the InChIKey of 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one?
The InChIKey is PGHIECNCMOGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c16-15(17)24-10-3-1-2-9(6-10)13-11(7-19-20-13)14(23)21-5-4-18-12(22)8-21/h1-3,6-7,15H,4-5,8H2,(H,18,22)(H,19,20).
What are the key properties of 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one?
4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one has a molecular weight of 336.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 126766706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).