4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one

C11H19N3O — CID 116555498

IUPAC4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
SMILESCCCn1cc(C(=O)CCCNC)cn1
InChIInChI=1S/C11H19N3O/c1-3-7-14-9-10(8-13-14)11(15)5-4-6-12-2/h8-9,12H,3-7H2,1-2H3
InChIKeyZPEJQIZGLHDGDD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.48
Rot. Bonds7

About 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one

4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one (PubChem CID 116555498) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
PubChem CID116555498
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
SMILESCCCn1cc(C(=O)CCCNC)cn1
InChIInChI=1S/C11H19N3O/c1-3-7-14-9-10(8-13-14)11(15)5-4-6-12-2/h8-9,12H,3-7H2,1-2H3
InChIKeyZPEJQIZGLHDGDD-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
CID 105082191
4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
CID 116577813
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105082099
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one
CID 83818309
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one (CID 116555498) is 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one is CCCn1cc(C(=O)CCCNC)cn1.
What is the InChIKey of 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one?
The InChIKey is ZPEJQIZGLHDGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-14-9-10(8-13-14)11(15)5-4-6-12-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one?
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one is sourced from PubChem (CID 116555498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).