3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15ClFN3O2 — CID 67974056

IUPAC3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(Cl)c(COc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2
InChIKeyIJVRAFCZLKHDLC-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.91
Rot. Bonds4

About 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974056) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974056
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(Cl)c(COc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2
InChIKeyIJVRAFCZLKHDLC-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974056) is 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2c(Cl)c(COc3ccccc3)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IJVRAFCZLKHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2.
What are the key properties of 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 371.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).