2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H12ClF2N5O2 — CID 59722992

IUPAC2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)Cl)cc4)n3)cc21
InChIInChI=1S/C17H12ClF2N5O2/c18-17(19,20)27-11-3-1-10(2-4-11)15-21-6-5-12(23-15)13-9-14-16(26)22-7-8-25(14)24-13/h1-6,9H,7-8H2,(H,22,26)
InChIKeyOHDXKXXKGWYXFG-UHFFFAOYSA-N
MW391.77 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722992) has the molecular formula C17H12ClF2N5O2 and a molecular weight of 391.77 g/mol. Its IUPAC name is 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722992
Molecular FormulaC17H12ClF2N5O2
Molecular Weight391.77 g/mol
Exact Mass391.06
IUPAC Name2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)Cl)cc4)n3)cc21
InChIInChI=1S/C17H12ClF2N5O2/c18-17(19,20)27-11-3-1-10(2-4-11)15-21-6-5-12(23-15)13-9-14-16(26)22-7-8-25(14)24-13/h1-6,9H,7-8H2,(H,22,26)
InChIKeyOHDXKXXKGWYXFG-UHFFFAOYSA-N
XLogP2.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-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 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722992) is 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)Cl)cc4)n3)cc21.
What is the InChIKey of 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OHDXKXXKGWYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N5O2/c18-17(19,20)27-11-3-1-10(2-4-11)15-21-6-5-12(23-15)13-9-14-16(26)22-7-8-25(14)24-13/h1-6,9H,7-8H2,(H,22,26).
What are the key properties of 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 391.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[chloro(difluoro)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).