4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine

C23H36N4O — CID 75493657

IUPAC4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
SMILESCC1CN(CCCCNCc2cn(-c3ccccc3)nc2C(C)C)CC(C)O1
InChIInChI=1S/C23H36N4O/c1-18(2)23-21(17-27(25-23)22-10-6-5-7-11-22)14-24-12-8-9-13-26-15-19(3)28-20(4)16-26/h5-7,10-11,17-20,24H,8-9,12-16H2,1-4H3
InChIKeySBTHFGATVMPKFR-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.97
Rot. Bonds9

About 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine

4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 75493657) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID75493657
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
SMILESCC1CN(CCCCNCc2cn(-c3ccccc3)nc2C(C)C)CC(C)O1
InChIInChI=1S/C23H36N4O/c1-18(2)23-21(17-27(25-23)22-10-6-5-7-11-22)14-24-12-8-9-13-26-15-19(3)28-20(4)16-26/h5-7,10-11,17-20,24H,8-9,12-16H2,1-4H3
InChIKeySBTHFGATVMPKFR-UHFFFAOYSA-N
XLogP3.97
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine (CID 75493657) is 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine is CC1CN(CCCCNCc2cn(-c3ccccc3)nc2C(C)C)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is SBTHFGATVMPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-18(2)23-21(17-27(25-23)22-10-6-5-7-11-22)14-24-12-8-9-13-26-15-19(3)28-20(4)16-26/h5-7,10-11,17-20,24H,8-9,12-16H2,1-4H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 384.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 75493657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).