2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one

C14H24N4O2 — CID 114671355

IUPAC2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(C)C1CNC1
InChIInChI=1S/C14H24N4O2/c1-10(11-7-15-8-11)14(19)13-12(20-4)9-16-18(13)6-5-17(2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyKKVGISIOWVLNDM-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.49
Rot. Bonds7

About 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one

2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one (PubChem CID 114671355) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
PubChem CID114671355
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(C)C1CNC1
InChIInChI=1S/C14H24N4O2/c1-10(11-7-15-8-11)14(19)13-12(20-4)9-16-18(13)6-5-17(2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyKKVGISIOWVLNDM-UHFFFAOYSA-N
XLogP0.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methylpentan-1-one
CID 114668362
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylpropan-1-one
CID 115804269
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 114640484
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3,4,4-trimethylpentan-1-one
CID 115803152
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 114668539
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one (CID 114671355) is 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one is COc1cnn(CCN(C)C)c1C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The InChIKey is KKVGISIOWVLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(11-7-15-8-11)14(19)13-12(20-4)9-16-18(13)6-5-17(2)3/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one is sourced from PubChem (CID 114671355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).