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

C15H19N3O2 — CID 53193279

IUPAC4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
SMILESCOc1cccc(-c2cc(CN3CCOCC3)[nH]n2)c1
InChIInChI=1S/C15H19N3O2/c1-19-14-4-2-3-12(9-14)15-10-13(16-17-15)11-18-5-7-20-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,16,17)
InChIKeyJIZPFZBJLOKDAE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds4

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

4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine (PubChem CID 53193279) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
PubChem CID53193279
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
SMILESCOc1cccc(-c2cc(CN3CCOCC3)[nH]n2)c1
InChIInChI=1S/C15H19N3O2/c1-19-14-4-2-3-12(9-14)15-10-13(16-17-15)11-18-5-7-20-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,16,17)
InChIKeyJIZPFZBJLOKDAE-UHFFFAOYSA-N
XLogP1.92
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070785
ethyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 10132265
3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine
CID 10563240
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
1,1,1-trifluoro-3-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}-2-propanol
CID 3578707
ethyl 1-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-3-(3-methoxybenzyl)piperidine-3-carboxylate
CID 16190509
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24790733
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791255

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine (CID 53193279) is 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine is COc1cccc(-c2cc(CN3CCOCC3)[nH]n2)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
The InChIKey is JIZPFZBJLOKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-14-4-2-3-12(9-14)15-10-13(16-17-15)11-18-5-7-20-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,16,17).
What are the key properties of 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine?
4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 53193279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).