4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine

C21H23FN4O — CID 127250558

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine
SMILESCCn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1
InChIInChI=1S/C21H23FN4O/c1-2-26-14-16(12-23-26)13-25-9-10-27-21(15-25)20-8-4-7-19(24-20)17-5-3-6-18(22)11-17/h3-8,11-12,14,21H,2,9-10,13,15H2,1H3
InChIKeyXFSRDMIAWCRXEO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.68
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine

4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine (PubChem CID 127250558) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine
PubChem CID127250558
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine
SMILESCCn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1
InChIInChI=1S/C21H23FN4O/c1-2-26-14-16(12-23-26)13-25-9-10-27-21(15-25)20-8-4-7-19(24-20)17-5-3-6-18(22)11-17/h3-8,11-12,14,21H,2,9-10,13,15H2,1H3
InChIKeyXFSRDMIAWCRXEO-UHFFFAOYSA-N
XLogP3.68
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine (CID 127250558) is 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine is CCn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine?
The InChIKey is XFSRDMIAWCRXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-2-26-14-16(12-23-26)13-25-9-10-27-21(15-25)20-8-4-7-19(24-20)17-5-3-6-18(22)11-17/h3-8,11-12,14,21H,2,9-10,13,15H2,1H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine?
4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine has a molecular weight of 366.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 127250558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).