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

C20H18FN3O2 — CID 57387629

IUPAC(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H18FN3O2/c21-16-6-4-5-15(11-16)20(25)23-9-10-24-18(13-23)12-17(22-24)14-26-19-7-2-1-3-8-19/h1-8,11-12H,9-10,13-14H2
InChIKeyPJNXYVARQXFUAP-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.26
Rot. Bonds4

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

(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 57387629) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID57387629
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H18FN3O2/c21-16-6-4-5-15(11-16)20(25)23-9-10-24-18(13-23)12-17(22-24)14-26-19-7-2-1-3-8-19/h1-8,11-12H,9-10,13-14H2
InChIKeyPJNXYVARQXFUAP-UHFFFAOYSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 57410027
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CID 57411802
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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 57387629) is (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cccc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1.
What is the InChIKey of (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is PJNXYVARQXFUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-6-4-5-15(11-16)20(25)23-9-10-24-18(13-23)12-17(22-24)14-26-19-7-2-1-3-8-19/h1-8,11-12H,9-10,13-14H2.
What are the key properties of (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 57387629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).