(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H20FN3O2 — CID 122190317

IUPAC(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1
InChIInChI=1S/C21H20FN3O2/c1-14-4-3-5-19(10-14)27-13-17-11-20-21(26)24(12-15(2)25(20)23-17)18-8-6-16(22)7-9-18/h3-11,15H,12-13H2,1-2H3/t15-/m1/s1
InChIKeyOCFSDAJLTQKCRZ-OAHLLOKOSA-N
MW365.41 g/mol
LogP4.13
Rot. Bonds4

About (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190317) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190317
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1
InChIInChI=1S/C21H20FN3O2/c1-14-4-3-5-19(10-14)27-13-17-11-20-21(26)24(12-15(2)25(20)23-17)18-8-6-16(22)7-9-18/h3-11,15H,12-13H2,1-2H3/t15-/m1/s1
InChIKeyOCFSDAJLTQKCRZ-OAHLLOKOSA-N
XLogP4.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190317) is (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1.
What is the InChIKey of (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OCFSDAJLTQKCRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-4-3-5-19(10-14)27-13-17-11-20-21(26)24(12-15(2)25(20)23-17)18-8-6-16(22)7-9-18/h3-11,15H,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 365.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-fluorophenyl)-7-methyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).