[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone

C14H19N3O3S — CID 115803268

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2c(OC)cnn2CCN(C)C)c1
InChIInChI=1S/C14H19N3O3S/c1-16(2)5-6-17-13(11(20-4)8-15-17)14(18)12-7-10(19-3)9-21-12/h7-9H,5-6H2,1-4H3
InChIKeyUJUMCHRKXTYSJQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.75
Rot. Bonds7

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone (PubChem CID 115803268) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone
PubChem CID115803268
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2c(OC)cnn2CCN(C)C)c1
InChIInChI=1S/C14H19N3O3S/c1-16(2)5-6-17-13(11(20-4)8-15-17)14(18)12-7-10(19-3)9-21-12/h7-9H,5-6H2,1-4H3
InChIKeyUJUMCHRKXTYSJQ-UHFFFAOYSA-N
XLogP1.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
[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
(2-aminophenyl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 114640349
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-methoxypropan-1-one
CID 114639473
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
CID 114641932
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 114640484

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone (CID 115803268) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2c(OC)cnn2CCN(C)C)c1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone?
The InChIKey is UJUMCHRKXTYSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16(2)5-6-17-13(11(20-4)8-15-17)14(18)12-7-10(19-3)9-21-12/h7-9H,5-6H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 115803268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).