1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H17BrN4OS — CID 75415386

IUPAC1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NC1=NCCS1)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C17H17BrN4OS/c18-11-4-3-5-12(10-11)22-14-7-2-1-6-13(14)15(21-22)16(23)20-17-19-8-9-24-17/h3-5,10H,1-2,6-9H2,(H,19,20,23)
InChIKeySGBZUCSGDVINMX-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.35
Rot. Bonds2

About 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 75415386) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID75415386
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC Name1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NC1=NCCS1)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C17H17BrN4OS/c18-11-4-3-5-12(10-11)22-14-7-2-1-6-13(14)15(21-22)16(23)20-17-19-8-9-24-17/h3-5,10H,1-2,6-9H2,(H,19,20,23)
InChIKeySGBZUCSGDVINMX-UHFFFAOYSA-N
XLogP3.35
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47047806
1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 52783747
1-(3-bromophenyl)-N-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 78886335
N-(2-aminoethyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119384062
N-(2-amino-2-methylpropyl)-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119630738
N-(3-aminopropyl)-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119409052
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119504417
1-(3-bromophenyl)-N-(2-methylsulfonylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71889495
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55791755
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
1-(3-bromophenyl)-N-(1-carbamoylcyclohexyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 112845631
1-(3-bromophenyl)-N-(oxan-3-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 56559244

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 75415386) is 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(NC1=NCCS1)c1nn(-c2cccc(Br)c2)c2c1CCCC2.
What is the InChIKey of 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is SGBZUCSGDVINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS/c18-11-4-3-5-12(10-11)22-14-7-2-1-6-13(14)15(21-22)16(23)20-17-19-8-9-24-17/h3-5,10H,1-2,6-9H2,(H,19,20,23).
What are the key properties of 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 405.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 75415386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).