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

C17H12F3N5O2 — CID 59723598

IUPAC2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)n3)cc21
InChIInChI=1S/C17H12F3N5O2/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)
InChIKeyPZHXXKBSSGFMNR-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.65
Rot. Bonds3

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

2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723598) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723598
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)n3)cc21
InChIInChI=1S/C17H12F3N5O2/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)
InChIKeyPZHXXKBSSGFMNR-UHFFFAOYSA-N
XLogP2.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723598) is 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)n3)cc21.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PZHXXKBSSGFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/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-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 375.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).