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

C20H18FN3O2 — CID 57387630

IUPAC(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H18FN3O2/c21-19-9-5-4-8-18(19)20(25)23-10-11-24-16(13-23)12-15(22-24)14-26-17-6-2-1-3-7-17/h1-9,12H,10-11,13-14H2
InChIKeyPIQYSYVSOIVWJC-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.26
Rot. Bonds4

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

(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 57387630) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID57387630
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H18FN3O2/c21-19-9-5-4-8-18(19)20(25)23-10-11-24-16(13-23)12-15(22-24)14-26-17-6-2-1-3-7-17/h1-9,12H,10-11,13-14H2
InChIKeyPIQYSYVSOIVWJC-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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Related Compounds

[5-(2-fluorobenzoyl)-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 67968145
(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 71038225
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-phenoxybutan-1-one
CID 90651802
(2,4-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;ethane
CID 144757796
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 91795630
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
[2-[(2-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 118065770
2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 121497667
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
CID 67968111
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 91775443
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213
3-[5-[2-(1H-imidazol-2-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56906356

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 57387630) is (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1.
What is the InChIKey of (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is PIQYSYVSOIVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-19-9-5-4-8-18(19)20(25)23-10-11-24-16(13-23)12-15(22-24)14-26-17-6-2-1-3-7-17/h1-9,12H,10-11,13-14H2.
What are the key properties of (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(2-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 (2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 57387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).