2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

C14H21N3S — CID 104996146

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1cc(C)nn1C)NC
InChIInChI=1S/C14H21N3S/c1-5-11-6-7-18-14(11)13(15-3)9-12-8-10(2)16-17(12)4/h6-8,13,15H,5,9H2,1-4H3
InChIKeyTVMCKFBALMKARD-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.86
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 104996146) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID104996146
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1cc(C)nn1C)NC
InChIInChI=1S/C14H21N3S/c1-5-11-6-7-18-14(11)13(15-3)9-12-8-10(2)16-17(12)4/h6-8,13,15H,5,9H2,1-4H3
InChIKeyTVMCKFBALMKARD-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105315842
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105158676
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503617
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 104996199
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (CID 104996146) is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccsc1C(Cc1cc(C)nn1C)NC.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is TVMCKFBALMKARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-11-6-7-18-14(11)13(15-3)9-12-8-10(2)16-17(12)4/h6-8,13,15H,5,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 104996146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).