N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide

C13H10BrN3OS — CID 78985883

IUPACN-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1n[nH]c2ccccc12
InChIInChI=1S/C13H10BrN3OS/c14-9-5-6-19-11(9)7-15-13(18)12-8-3-1-2-4-10(8)16-17-12/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeySXQLQAOLVLBNGH-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.32
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide (PubChem CID 78985883) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide
PubChem CID78985883
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1n[nH]c2ccccc12
InChIInChI=1S/C13H10BrN3OS/c14-9-5-6-19-11(9)7-15-13(18)12-8-3-1-2-4-10(8)16-17-12/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeySXQLQAOLVLBNGH-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 78985843
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 71935280
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide (CID 78985883) is N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide is O=C(NCc1sccc1Br)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is SXQLQAOLVLBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-9-5-6-19-11(9)7-15-13(18)12-8-3-1-2-4-10(8)16-17-12/h1-6H,7H2,(H,15,18)(H,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78985883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).