1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine

C12H17N3S — CID 105148244

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCCn1nccc1C(Cc1ccsc1)NC
InChIInChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4-7,9,11,13H,3,8H2,1-2H3
InChIKeyNHXGXBJJKXXZDH-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 105148244) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID105148244
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCCn1nccc1C(Cc1ccsc1)NC
InChIInChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4-7,9,11,13H,3,8H2,1-2H3
InChIKeyNHXGXBJJKXXZDH-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297803
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 63977457
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine (CID 105148244) is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine is CCn1nccc1C(Cc1ccsc1)NC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is NHXGXBJJKXXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4-7,9,11,13H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105148244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).