2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide

C15H21N3OS — CID 121139809

IUPAC2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C15H21N3OS/c1-3-12(4-2)15(19)16-8-10-18-9-7-13(17-18)14-6-5-11-20-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,16,19)
InChIKeyYRZDBDGLNDFJAQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.16
Rot. Bonds7

About 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide

2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide (PubChem CID 121139809) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
PubChem CID121139809
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C15H21N3OS/c1-3-12(4-2)15(19)16-8-10-18-9-7-13(17-18)14-6-5-11-20-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,16,19)
InChIKeyYRZDBDGLNDFJAQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 71808130
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
CID 138056651
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide (CID 121139809) is 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide is CCC(CC)C(=O)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide?
The InChIKey is YRZDBDGLNDFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-12(4-2)15(19)16-8-10-18-9-7-13(17-18)14-6-5-11-20-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide?
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide has a molecular weight of 291.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 121139809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).