1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one

C14H25N3O3 — CID 114642562

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(OC)C(C)C
InChIInChI=1S/C14H25N3O3/c1-10(2)14(20-6)13(18)12-11(19-5)9-15-17(12)8-7-16(3)4/h9-10,14H,7-8H2,1-6H3
InChIKeyJQMNCZFXXMGEEV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.31
Rot. Bonds8

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

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one (PubChem CID 114642562) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
PubChem CID114642562
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(OC)C(C)C
InChIInChI=1S/C14H25N3O3/c1-10(2)14(20-6)13(18)12-11(19-5)9-15-17(12)8-7-16(3)4/h9-10,14H,7-8H2,1-6H3
InChIKeyJQMNCZFXXMGEEV-UHFFFAOYSA-N
XLogP1.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
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]-3,4,4-trimethylpentan-1-one
CID 115803152
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methylpentan-1-one
CID 114668362
2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114671355
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
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-(propan-2-ylamino)propan-1-one
CID 114668539
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one (CID 114642562) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one is COc1cnn(CCN(C)C)c1C(=O)C(OC)C(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one?
The InChIKey is JQMNCZFXXMGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)14(20-6)13(18)12-11(19-5)9-15-17(12)8-7-16(3)4/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one has a molecular weight of 283.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 114642562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).