[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

C15H16FN3O3 — CID 42529513

IUPAC[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(COc2ccccc2F)[nH]n1)N1CCOCC1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-2-4-14(12)22-10-11-9-13(18-17-11)15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2,(H,17,18)
InChIKeyIPBUDGCYBVTTIJ-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.60
Rot. Bonds4

About [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 42529513) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID42529513
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(COc2ccccc2F)[nH]n1)N1CCOCC1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-2-4-14(12)22-10-11-9-13(18-17-11)15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2,(H,17,18)
InChIKeyIPBUDGCYBVTTIJ-UHFFFAOYSA-N
XLogP1.60
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(3,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973817
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
5-(3-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974464
5-(4-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974644
2-[(2-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974705
2-[(3-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975734
(7R)-5-(4-fluorophenyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118575176
(7R)-2-[(2-fluorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190312
(7R)-2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190313
(7R)-2-[(4-fluorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190314

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (CID 42529513) is [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCOCC1.
What is the InChIKey of [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IPBUDGCYBVTTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-3-1-2-4-14(12)22-10-11-9-13(18-17-11)15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2,(H,17,18).
What are the key properties of [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 305.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42529513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).