5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide

C16H13BrFN3OS — CID 55891505

IUPAC5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Br)s3)cc2F)n1
InChIInChI=1S/C16H13BrFN3OS/c1-9-7-10(2)21(20-9)13-4-3-11(8-12(13)18)19-16(22)14-5-6-15(17)23-14/h3-8H,1-2H3,(H,19,22)
InChIKeyYWGJXTALSLDISJ-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.70
Rot. Bonds3

About 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide

5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide (PubChem CID 55891505) has the molecular formula C16H13BrFN3OS and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide
PubChem CID55891505
Molecular FormulaC16H13BrFN3OS
Molecular Weight394.27 g/mol
Exact Mass392.99
IUPAC Name5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Br)s3)cc2F)n1
InChIInChI=1S/C16H13BrFN3OS/c1-9-7-10(2)21(20-9)13-4-3-11(8-12(13)18)19-16(22)14-5-6-15(17)23-14/h3-8H,1-2H3,(H,19,22)
InChIKeyYWGJXTALSLDISJ-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide (CID 55891505) is 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(Br)s3)cc2F)n1.
What is the InChIKey of 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide?
The InChIKey is YWGJXTALSLDISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3OS/c1-9-7-10(2)21(20-9)13-4-3-11(8-12(13)18)19-16(22)14-5-6-15(17)23-14/h3-8H,1-2H3,(H,19,22).
What are the key properties of 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide?
5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55891505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).