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

C11H12BrN3OS — CID 104693664

IUPAC5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-15-9(3-5-14-15)2-4-13-11(16)8-6-10(12)17-7-8/h3,5-7H,2,4H2,1H3,(H,13,16)
InChIKeyJTMWINIIPJZZNB-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.22
Rot. Bonds4

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

5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 104693664) 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-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID104693664
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-15-9(3-5-14-15)2-4-13-11(16)8-6-10(12)17-7-8/h3,5-7H,2,4H2,1H3,(H,13,16)
InChIKeyJTMWINIIPJZZNB-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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 103010436
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 63330474
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 103005665
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide (CID 104693664) is 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide is Cn1nccc1CCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is JTMWINIIPJZZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-15-9(3-5-14-15)2-4-13-11(16)8-6-10(12)17-7-8/h3,5-7H,2,4H2,1H3,(H,13,16).
What are the key properties of 5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 104693664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).