4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide

C9H7Br2N3OS — CID 19405067

IUPAC4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H7Br2N3OS/c1-14-3-2-7(13-14)12-9(15)6-4-5(10)8(11)16-6/h2-4H,1H3,(H,12,13,15)
InChIKeyUVPJVULDDSTRBX-UHFFFAOYSA-N
MW365.05 g/mol
LogP3.26
Rot. Bonds2

About 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19405067) has the molecular formula C9H7Br2N3OS and a molecular weight of 365.05 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID19405067
Molecular FormulaC9H7Br2N3OS
Molecular Weight365.05 g/mol
Exact Mass362.87
IUPAC Name4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H7Br2N3OS/c1-14-3-2-7(13-14)12-9(15)6-4-5(10)8(11)16-6/h2-4H,1H3,(H,12,13,15)
InChIKeyUVPJVULDDSTRBX-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 19405067) is 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1ccc(NC(=O)c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is UVPJVULDDSTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3OS/c1-14-3-2-7(13-14)12-9(15)6-4-5(10)8(11)16-6/h2-4H,1H3,(H,12,13,15).
What are the key properties of 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 365.05 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19405067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).