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

C8H5Br2N3OS — CID 61393424

IUPAC4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H5Br2N3OS/c9-4-3-5(15-7(4)10)8(14)12-6-1-2-11-13-6/h1-3H,(H2,11,12,13,14)
InChIKeyPKMXAMXEHBTCAX-UHFFFAOYSA-N
MW351.02 g/mol
LogP3.25
Rot. Bonds2

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

4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 61393424) has the molecular formula C8H5Br2N3OS and a molecular weight of 351.02 g/mol. Its IUPAC name is 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID61393424
Molecular FormulaC8H5Br2N3OS
Molecular Weight351.02 g/mol
Exact Mass348.85
IUPAC Name4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H5Br2N3OS/c9-4-3-5(15-7(4)10)8(14)12-6-1-2-11-13-6/h1-3H,(H2,11,12,13,14)
InChIKeyPKMXAMXEHBTCAX-UHFFFAOYSA-N
XLogP3.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.02
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 61393424) is 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccn[nH]1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is PKMXAMXEHBTCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N3OS/c9-4-3-5(15-7(4)10)8(14)12-6-1-2-11-13-6/h1-3H,(H2,11,12,13,14).
What are the key properties of 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 351.02 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61393424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).