N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C13H22N4O — CID 106935533

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=Cn1cc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h2,11-12,14H,1,3-10H2
InChIKeyHKZGLGLJACADPO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds7

About N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 106935533) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID106935533
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=Cn1cc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h2,11-12,14H,1,3-10H2
InChIKeyHKZGLGLJACADPO-UHFFFAOYSA-N
XLogP0.80
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
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

N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166276
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126963907
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 106935533) is N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is C=Cn1cc(CNCCCN2CCOCC2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is HKZGLGLJACADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h2,11-12,14H,1,3-10H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 106935533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).