N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide

C15H14BrN3O — CID 146080187

IUPACN-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(nn2)CCC3)c(Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-5-6-13(11(16)7-9)17-15(20)14-8-10-3-2-4-12(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,20)
InChIKeyGTHRLEWRBZEOAH-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.29
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide (PubChem CID 146080187) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
PubChem CID146080187
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(nn2)CCC3)c(Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-5-6-13(11(16)7-9)17-15(20)14-8-10-3-2-4-12(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,20)
InChIKeyGTHRLEWRBZEOAH-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-quinolin-5-yl-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
CID 146080597
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 163358449
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide (CID 146080187) is N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc3c(nn2)CCC3)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide?
The InChIKey is GTHRLEWRBZEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-5-6-13(11(16)7-9)17-15(20)14-8-10-3-2-4-12(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide is sourced from PubChem (CID 146080187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).