5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C9H8BrN3OS — CID 32609166

IUPAC5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3OS/c1-13-4-7(3-11-13)12-9(14)6-2-8(10)15-5-6/h2-5H,1H3,(H,12,14)
InChIKeyYQUSLEKVCUONSE-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.50
Rot. Bonds2

About 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 32609166) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID32609166
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC Name5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3OS/c1-13-4-7(3-11-13)12-9(14)6-2-8(10)15-5-6/h2-5H,1H3,(H,12,14)
InChIKeyYQUSLEKVCUONSE-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 32609166) is 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cn1cc(NC(=O)c2csc(Br)c2)cn1.
What is the InChIKey of 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is YQUSLEKVCUONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c1-13-4-7(3-11-13)12-9(14)6-2-8(10)15-5-6/h2-5H,1H3,(H,12,14).
What are the key properties of 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 286.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 32609166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).