(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C20H17F2N3O2 — CID 57387632

IUPAC(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H17F2N3O2/c21-18-7-6-14(10-19(18)22)20(26)24-8-9-25-16(12-24)11-15(23-25)13-27-17-4-2-1-3-5-17/h1-7,10-11H,8-9,12-13H2
InChIKeyVPEKQLSXDDFELD-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.40
Rot. Bonds4

About (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 57387632) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID57387632
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H17F2N3O2/c21-18-7-6-14(10-19(18)22)20(26)24-8-9-25-16(12-24)11-15(23-25)13-27-17-4-2-1-3-5-17/h1-7,10-11H,8-9,12-13H2
InChIKeyVPEKQLSXDDFELD-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 57387632) is (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1.
What is the InChIKey of (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is VPEKQLSXDDFELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-18-7-6-14(10-19(18)22)20(26)24-8-9-25-16(12-24)11-15(23-25)13-27-17-4-2-1-3-5-17/h1-7,10-11H,8-9,12-13H2.
What are the key properties of (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 369.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 57387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).