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

C21H32N4O — CID 119114881

IUPAC4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCc1cccc(-c2[nH]ncc2CNCCCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C21H32N4O/c1-16-7-6-8-19(11-16)21-20(13-23-24-21)12-22-9-4-5-10-25-14-17(2)26-18(3)15-25/h6-8,11,13,17-18,22H,4-5,9-10,12,14-15H2,1-3H3,(H,23,24)
InChIKeyMGPVUEFKCXJDHQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.36
Rot. Bonds8

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

4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 119114881) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID119114881
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCc1cccc(-c2[nH]ncc2CNCCCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C21H32N4O/c1-16-7-6-8-19(11-16)21-20(13-23-24-21)12-22-9-4-5-10-25-14-17(2)26-18(3)15-25/h6-8,11,13,17-18,22H,4-5,9-10,12,14-15H2,1-3H3,(H,23,24)
InChIKeyMGPVUEFKCXJDHQ-UHFFFAOYSA-N
XLogP3.36
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.36
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

3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
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
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86808826
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
CID 75493657
N-[(4-bromophenyl)methyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butan-1-amine
CID 94939280
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
4-(2,6-dimethylmorpholin-4-yl)-N-[(2-ethoxy-5-nitrophenyl)methyl]butan-1-amine
CID 119106865
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95579532
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 119114881) is 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is Cc1cccc(-c2[nH]ncc2CNCCCCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is MGPVUEFKCXJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-7-6-8-19(11-16)21-20(13-23-24-21)12-22-9-4-5-10-25-14-17(2)26-18(3)15-25/h6-8,11,13,17-18,22H,4-5,9-10,12,14-15H2,1-3H3,(H,23,24).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 356.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 119114881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).