N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

C17H19N3OS2 — CID 122161661

IUPACN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1nn(CCNC(=O)Cc2cccs2)c(C)c1-c1ccsc1
InChIInChI=1S/C17H19N3OS2/c1-12-17(14-5-9-22-11-14)13(2)20(19-12)7-6-18-16(21)10-15-4-3-8-23-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,21)
InChIKeyBBCONRYDNCCVPR-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 122161661) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID122161661
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1nn(CCNC(=O)Cc2cccs2)c(C)c1-c1ccsc1
InChIInChI=1S/C17H19N3OS2/c1-12-17(14-5-9-22-11-14)13(2)20(19-12)7-6-18-16(21)10-15-4-3-8-23-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,21)
InChIKeyBBCONRYDNCCVPR-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 122161668
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 122161610
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
CID 122161697
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95801873
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 122244565
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71790801
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 122161661) is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1nn(CCNC(=O)Cc2cccs2)c(C)c1-c1ccsc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BBCONRYDNCCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-12-17(14-5-9-22-11-14)13(2)20(19-12)7-6-18-16(21)10-15-4-3-8-23-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 345.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 122161661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).