3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide

C14H9Br2N3OS — CID 55764806

IUPAC3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1sccc1Br
InChIInChI=1S/C14H9Br2N3OS/c15-9-7-17-19(8-9)12-4-2-1-3-11(12)18-14(20)13-10(16)5-6-21-13/h1-8H,(H,18,20)
InChIKeyIUXFOYZXNASODY-UHFFFAOYSA-N
MW427.12 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide

3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 55764806) has the molecular formula C14H9Br2N3OS and a molecular weight of 427.12 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID55764806
Molecular FormulaC14H9Br2N3OS
Molecular Weight427.12 g/mol
Exact Mass424.88
IUPAC Name3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1sccc1Br
InChIInChI=1S/C14H9Br2N3OS/c15-9-7-17-19(8-9)12-4-2-1-3-11(12)18-14(20)13-10(16)5-6-21-13/h1-8H,(H,18,20)
InChIKeyIUXFOYZXNASODY-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.12
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55764650
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793172
N-[2-(4-bromopyrazol-1-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112831209
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55764236

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide (CID 55764806) is 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1-n1cc(Br)cn1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IUXFOYZXNASODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3OS/c15-9-7-17-19(8-9)12-4-2-1-3-11(12)18-14(20)13-10(16)5-6-21-13/h1-8H,(H,18,20).
What are the key properties of 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide?
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 427.12 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55764806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).