3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide

C8H6BrN3OS — CID 62045608

IUPAC3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1Br
InChIInChI=1S/C8H6BrN3OS/c9-5-2-4-14-7(5)8(13)11-6-1-3-10-12-6/h1-4H,(H2,10,11,12,13)
InChIKeyYLZLGNWUUAAMPP-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.49
Rot. Bonds2

About 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide

3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 62045608) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID62045608
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC Name3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1Br
InChIInChI=1S/C8H6BrN3OS/c9-5-2-4-14-7(5)8(13)11-6-1-3-10-12-6/h1-4H,(H2,10,11,12,13)
InChIKeyYLZLGNWUUAAMPP-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 62045608) is 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccn[nH]1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is YLZLGNWUUAAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c9-5-2-4-14-7(5)8(13)11-6-1-3-10-12-6/h1-4H,(H2,10,11,12,13).
What are the key properties of 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62045608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).