N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide

C11H13N3OS — CID 42656651

IUPACN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(C)=O
InChIInChI=1S/C11H13N3OS/c1-3-9-11(12-7(2)15)10(14-13-9)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDSGIWELUGQIJER-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.66
Rot. Bonds3

About N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide

N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 42656651) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
PubChem CID42656651
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(C)=O
InChIInChI=1S/C11H13N3OS/c1-3-9-11(12-7(2)15)10(14-13-9)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDSGIWELUGQIJER-UHFFFAOYSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide (CID 42656651) is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide is CCc1[nH]nc(-c2ccsc2)c1NC(C)=O.
What is the InChIKey of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is DSGIWELUGQIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-9-11(12-7(2)15)10(14-13-9)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide?
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 235.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 42656651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).