5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide

C14H9BrClN3OS — CID 60793461

IUPAC5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrClN3OS/c15-12-6-5-11(21-12)14(20)18-10-4-1-3-9(16)13(10)19-8-2-7-17-19/h1-8H,(H,18,20)
InChIKeyRLLRJQPQTIOUBP-UHFFFAOYSA-N
MW382.67 g/mol
LogP4.60
Rot. Bonds3

About 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide

5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 60793461) has the molecular formula C14H9BrClN3OS and a molecular weight of 382.67 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
PubChem CID60793461
Molecular FormulaC14H9BrClN3OS
Molecular Weight382.67 g/mol
Exact Mass380.93
IUPAC Name5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrClN3OS/c15-12-6-5-11(21-12)14(20)18-10-4-1-3-9(16)13(10)19-8-2-7-17-19/h1-8H,(H,18,20)
InChIKeyRLLRJQPQTIOUBP-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
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N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
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5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
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5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
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CID 79043907

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide (CID 60793461) is 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is RLLRJQPQTIOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3OS/c15-12-6-5-11(21-12)14(20)18-10-4-1-3-9(16)13(10)19-8-2-7-17-19/h1-8H,(H,18,20).
What are the key properties of 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 382.67 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 60793461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).