N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C15H28N4O — CID 122166171

IUPACN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCCn1nc(C)cc1CNCCCN1CCOCC1
InChIInChI=1S/C15H28N4O/c1-3-6-19-15(12-14(2)17-19)13-16-5-4-7-18-8-10-20-11-9-18/h12,16H,3-11,13H2,1-2H3
InChIKeyLUYRYIXDIBIPBN-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.41
Rot. Bonds8

About N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 122166171) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID122166171
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCCn1nc(C)cc1CNCCCN1CCOCC1
InChIInChI=1S/C15H28N4O/c1-3-6-19-15(12-14(2)17-19)13-16-5-4-7-18-8-10-20-11-9-18/h12,16H,3-11,13H2,1-2H3
InChIKeyLUYRYIXDIBIPBN-UHFFFAOYSA-N
XLogP1.41
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.41
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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Related Compounds

3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 122166161
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126967056
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine
CID 83020855

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 122166171) is N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CCCn1nc(C)cc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LUYRYIXDIBIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-6-19-15(12-14(2)17-19)13-16-5-4-7-18-8-10-20-11-9-18/h12,16H,3-11,13H2,1-2H3.
What are the key properties of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 122166171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).