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

C13H24N4O — CID 62126706

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCn1cc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C13H24N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3
InChIKeyLPEVHJGATLVJQO-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds7

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

N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 62126706) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID62126706
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCn1cc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C13H24N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3
InChIKeyLPEVHJGATLVJQO-UHFFFAOYSA-N
XLogP0.71
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
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-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166276
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
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 62126706) is N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CCn1cc(CNCCCN2CCOCC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LPEVHJGATLVJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-17-12-13(11-15-17)10-14-4-3-5-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62126706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).