5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide

C15H12BrN3OS — CID 79916381

IUPAC5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-n3cccn3)c2)sc1Br
InChIInChI=1S/C15H12BrN3OS/c1-10-8-13(21-14(10)16)15(20)18-11-4-2-5-12(9-11)19-7-3-6-17-19/h2-9H,1H3,(H,18,20)
InChIKeyOKEZXPRNPKVSIG-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 79916381) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
PubChem CID79916381
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-n3cccn3)c2)sc1Br
InChIInChI=1S/C15H12BrN3OS/c1-10-8-13(21-14(10)16)15(20)18-11-4-2-5-12(9-11)19-7-3-6-17-19/h2-9H,1H3,(H,18,20)
InChIKeyOKEZXPRNPKVSIG-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 55765795
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide (CID 79916381) is 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(-n3cccn3)c2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is OKEZXPRNPKVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-10-8-13(21-14(10)16)15(20)18-11-4-2-5-12(9-11)19-7-3-6-17-19/h2-9H,1H3,(H,18,20).
What are the key properties of 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 79916381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).