4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine

C20H21N3O2 — CID 23656963

IUPAC4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
SMILESc1ccc(Oc2ccc(-c3cc(CN4CCOCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-4-18(5-3-1)25-19-8-6-16(7-9-19)20-14-17(21-22-20)15-23-10-12-24-13-11-23/h1-9,14H,10-13,15H2,(H,21,22)
InChIKeyVYVNAJNUWNGZOF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.70
Rot. Bonds5

About 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine

4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine (PubChem CID 23656963) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
PubChem CID23656963
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
SMILESc1ccc(Oc2ccc(-c3cc(CN4CCOCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-4-18(5-3-1)25-19-8-6-16(7-9-19)20-14-17(21-22-20)15-23-10-12-24-13-11-23/h1-9,14H,10-13,15H2,(H,21,22)
InChIKeyVYVNAJNUWNGZOF-UHFFFAOYSA-N
XLogP3.70
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine (CID 23656963) is 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine is c1ccc(Oc2ccc(-c3cc(CN4CCOCC4)[nH]n3)cc2)cc1.
What is the InChIKey of 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The InChIKey is VYVNAJNUWNGZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-4-18(5-3-1)25-19-8-6-16(7-9-19)20-14-17(21-22-20)15-23-10-12-24-13-11-23/h1-9,14H,10-13,15H2,(H,21,22).
What are the key properties of 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 23656963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).