3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C19H28N4O — CID 56807387

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC1CN(CCCNCc2cn[nH]c2-c2ccccc2)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-15-13-23(14-16(2)24-15)10-6-9-20-11-18-12-21-22-19(18)17-7-4-3-5-8-17/h3-5,7-8,12,15-16,20H,6,9-11,13-14H2,1-2H3,(H,21,22)
InChIKeyFSCGHDFKDXEVJK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.67
Rot. Bonds7

About 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 56807387) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID56807387
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC1CN(CCCNCc2cn[nH]c2-c2ccccc2)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-15-13-23(14-16(2)24-15)10-6-9-20-11-18-12-21-22-19(18)17-7-4-3-5-8-17/h3-5,7-8,12,15-16,20H,6,9-11,13-14H2,1-2H3,(H,21,22)
InChIKeyFSCGHDFKDXEVJK-UHFFFAOYSA-N
XLogP2.67
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 119114881
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
CID 75493657
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 119109875
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95579532
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 56807387) is 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is CC1CN(CCCNCc2cn[nH]c2-c2ccccc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is FSCGHDFKDXEVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-13-23(14-16(2)24-15)10-6-9-20-11-18-12-21-22-19(18)17-7-4-3-5-8-17/h3-5,7-8,12,15-16,20H,6,9-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 56807387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).