2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

C12H17N3S — CID 103001687

IUPAC2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNCCc1ccnn1C
InChIInChI=1S/C12H17N3S/c1-10-8-16-9-11(10)7-13-5-3-12-4-6-14-15(12)2/h4,6,8-9,13H,3,5,7H2,1-2H3
InChIKeyALWYVVVPEISNCN-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 103001687) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID103001687
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNCCc1ccnn1C
InChIInChI=1S/C12H17N3S/c1-10-8-16-9-11(10)7-13-5-3-12-4-6-14-15(12)2/h4,6,8-9,13H,3,5,7H2,1-2H3
InChIKeyALWYVVVPEISNCN-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104694332
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[(2-fluoro-5-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694469
2-(1-methylimidazol-2-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 114527694
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005201
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 106757924
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005329

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (CID 103001687) is 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is Cc1cscc1CNCCc1ccnn1C.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is ALWYVVVPEISNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10-8-16-9-11(10)7-13-5-3-12-4-6-14-15(12)2/h4,6,8-9,13H,3,5,7H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 103001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).