[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone

C14H19N3O3S — CID 115803118

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H19N3O3S/c1-16(2)6-7-17-12(11(20-4)9-15-17)13(18)14-10(19-3)5-8-21-14/h5,8-9H,6-7H2,1-4H3
InChIKeyBCRYZWPUFQBYJJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.75
Rot. Bonds7

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone (PubChem CID 115803118) 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]-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
PubChem CID115803118
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H19N3O3S/c1-16(2)6-7-17-12(11(20-4)9-15-17)13(18)14-10(19-3)5-8-21-14/h5,8-9H,6-7H2,1-4H3
InChIKeyBCRYZWPUFQBYJJ-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

Analyze [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone
CID 115803268
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(2-aminophenyl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 114640349
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
CID 114641932
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
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone (CID 115803118) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone?
The InChIKey is BCRYZWPUFQBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16(2)6-7-17-12(11(20-4)9-15-17)13(18)14-10(19-3)5-8-21-14/h5,8-9H,6-7H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-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]-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 115803118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).