5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

C11H12BrN3OS — CID 104693703

IUPAC5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrN3OS/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16)
InChIKeyCLKFHGNFANDSOU-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 104693703) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID104693703
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrN3OS/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16)
InChIKeyCLKFHGNFANDSOU-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 103005665
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (CID 104693703) is 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is Cn1nccc1CCNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CLKFHGNFANDSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16).
What are the key properties of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 104693703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).