2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one

C15H26N4O2 — CID 115569816

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)n(CCCNC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H26N4O2/c1-12-11-13(2)19(17-12)6-4-5-16-14(3)15(20)18-7-9-21-10-8-18/h11,14,16H,4-10H2,1-3H3
InChIKeyVMYMFHHUJGBFIO-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.73
Rot. Bonds6

About 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115569816) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115569816
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)n(CCCNC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H26N4O2/c1-12-11-13(2)19(17-12)6-4-5-16-14(3)15(20)18-7-9-21-10-8-18/h11,14,16H,4-10H2,1-3H3
InChIKeyVMYMFHHUJGBFIO-UHFFFAOYSA-N
XLogP0.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.73
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

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111026987
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 171138573
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111026986

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one (CID 115569816) is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one is Cc1cc(C)n(CCCNC(C)C(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VMYMFHHUJGBFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-11-13(2)19(17-12)6-4-5-16-14(3)15(20)18-7-9-21-10-8-18/h11,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one?
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115569816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).