[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine

C12H17N3OS — CID 114277911

IUPAC[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
SMILESCOCCn1nccc1C(N)c1sccc1C
InChIInChI=1S/C12H17N3OS/c1-9-4-8-17-12(9)11(13)10-3-5-14-15(10)6-7-16-2/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyKLUDOFPUPRGGBB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.95
Rot. Bonds5

About [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine

[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine (PubChem CID 114277911) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
PubChem CID114277911
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
SMILESCOCCn1nccc1C(N)c1sccc1C
InChIInChI=1S/C12H17N3OS/c1-9-4-8-17-12(9)11(13)10-3-5-14-15(10)6-7-16-2/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyKLUDOFPUPRGGBB-UHFFFAOYSA-N
XLogP1.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine 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

(3-bromothiophen-2-yl)-[2-(3-methoxypropyl)pyrazol-3-yl]methanamine
CID 114278098
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900
1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114277741
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964
(4-methylthiadiazol-5-yl)-(2-propylpyrazol-3-yl)methanamine
CID 105148203
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine (CID 114277911) is [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine is COCCn1nccc1C(N)c1sccc1C.
What is the InChIKey of [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KLUDOFPUPRGGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-4-8-17-12(9)11(13)10-3-5-14-15(10)6-7-16-2/h3-5,8,11H,6-7,13H2,1-2H3.
What are the key properties of [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine?
[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 114277911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).