6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one

C11H19N3O2 — CID 114668168

IUPAC6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
SMILESCOc1cnn(C)c1C(=O)CCCCCN
InChIInChI=1S/C11H19N3O2/c1-14-11(10(16-2)8-13-14)9(15)6-4-3-5-7-12/h8H,3-7,12H2,1-2H3
InChIKeyCPKDRESQTFWQMI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.13
Rot. Bonds7

About 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one

6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one (PubChem CID 114668168) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
PubChem CID114668168
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
SMILESCOc1cnn(C)c1C(=O)CCCCCN
InChIInChI=1S/C11H19N3O2/c1-14-11(10(16-2)8-13-14)9(15)6-4-3-5-7-12/h8H,3-7,12H2,1-2H3
InChIKeyCPKDRESQTFWQMI-UHFFFAOYSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.13
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

5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one (CID 114668168) is 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one is COc1cnn(C)c1C(=O)CCCCCN.
What is the InChIKey of 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one?
The InChIKey is CPKDRESQTFWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-11(10(16-2)8-13-14)9(15)6-4-3-5-7-12/h8H,3-7,12H2,1-2H3.
What are the key properties of 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one?
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one is sourced from PubChem (CID 114668168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).