(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

C16H18FN3O3 — CID 118740038

IUPAC(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC2c2[nH]ncc2C)cc1F
InChIInChI=1S/C16H18FN3O3/c1-10-8-18-19-15(10)13-9-23-6-5-20(13)16(21)11-3-4-14(22-2)12(17)7-11/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyWSBNZSPOFUNNSD-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.08
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 118740038) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID118740038
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC2c2[nH]ncc2C)cc1F
InChIInChI=1S/C16H18FN3O3/c1-10-8-18-19-15(10)13-9-23-6-5-20(13)16(21)11-3-4-14(22-2)12(17)7-11/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyWSBNZSPOFUNNSD-UHFFFAOYSA-N
XLogP2.08
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 118740038) is (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOCC2c2[nH]ncc2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is WSBNZSPOFUNNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-8-18-19-15(10)13-9-23-6-5-20(13)16(21)11-3-4-14(22-2)12(17)7-11/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 319.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118740038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).