4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide

C9H4Br2N4OS — CID 78913819

IUPAC4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H4Br2N4OS/c10-5-1-6(17-7(5)11)9(16)14-8-4(2-12)3-13-15-8/h1,3H,(H2,13,14,15,16)
InChIKeyQZAPUDDNDWYYGK-UHFFFAOYSA-N
MW376.03 g/mol
LogP3.12
Rot. Bonds2

About 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide

4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 78913819) has the molecular formula C9H4Br2N4OS and a molecular weight of 376.03 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID78913819
Molecular FormulaC9H4Br2N4OS
Molecular Weight376.03 g/mol
Exact Mass373.85
IUPAC Name4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H4Br2N4OS/c10-5-1-6(17-7(5)11)9(16)14-8-4(2-12)3-13-15-8/h1,3H,(H2,13,14,15,16)
InChIKeyQZAPUDDNDWYYGK-UHFFFAOYSA-N
XLogP3.12
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 78913819) is 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is QZAPUDDNDWYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2N4OS/c10-5-1-6(17-7(5)11)9(16)14-8-4(2-12)3-13-15-8/h1,3H,(H2,13,14,15,16).
What are the key properties of 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 376.03 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78913819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).