(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine

C12H17N3S — CID 105166440

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1cc(C(N)c2sccc2C)n(C)n1
InChIInChI=1S/C12H17N3S/c1-4-9-7-10(15(3)14-9)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3
InChIKeyDWBMUMAZNQBDGN-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.40
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine

(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 105166440) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID105166440
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1cc(C(N)c2sccc2C)n(C)n1
InChIInChI=1S/C12H17N3S/c1-4-9-7-10(15(3)14-9)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3
InChIKeyDWBMUMAZNQBDGN-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1-methylpyrazol-5-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-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
CID 114277911
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine (CID 105166440) is (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine is CCc1cc(C(N)c2sccc2C)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is DWBMUMAZNQBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-9-7-10(15(3)14-9)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine?
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105166440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).