2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine

C15H23N3S — CID 104989680

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H23N3S/c1-4-11(3)18-8-6-13(17-18)10-14(16)15-12(5-2)7-9-19-15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyKMZBISSYHSWUTF-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.72
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 104989680) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID104989680
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H23N3S/c1-4-11(3)18-8-6-13(17-18)10-14(16)15-12(5-2)7-9-19-15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyKMZBISSYHSWUTF-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-ethylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313402
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105312536
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115806434
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105312638
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
CID 104989801
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 104989680) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is KMZBISSYHSWUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-11(3)18-8-6-13(17-18)10-14(16)15-12(5-2)7-9-19-15/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).