2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide

C10H11N3OS — CID 167022934

IUPAC2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccc(-c2cnn(CC(N)=O)c2)s1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-9(15-7)8-4-12-13(5-8)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyOHKYNAMWCHLZDI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide

2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide (PubChem CID 167022934) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
PubChem CID167022934
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccc(-c2cnn(CC(N)=O)c2)s1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-9(15-7)8-4-12-13(5-8)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyOHKYNAMWCHLZDI-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide (CID 167022934) is 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide is Cc1ccc(-c2cnn(CC(N)=O)c2)s1.
What is the InChIKey of 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The InChIKey is OHKYNAMWCHLZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-3-9(15-7)8-4-12-13(5-8)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14).
What are the key properties of 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide has a molecular weight of 221.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 167022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).