N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine

C17H18BrN5 — CID 112818314

IUPACN-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3ccccc3Br)nn2)n1
InChIInChI=1S/C17H18BrN5/c1-11-10-12(2)23(22-11)17-9-8-16(20-21-17)19-13(3)14-6-4-5-7-15(14)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyRIESUVMXYUTGPX-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.21
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine

N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 112818314) has the molecular formula C17H18BrN5 and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
PubChem CID112818314
Molecular FormulaC17H18BrN5
Molecular Weight372.27 g/mol
Exact Mass371.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3ccccc3Br)nn2)n1
InChIInChI=1S/C17H18BrN5/c1-11-10-12(2)23(22-11)17-9-8-16(20-21-17)19-13(3)14-6-4-5-7-15(14)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyRIESUVMXYUTGPX-UHFFFAOYSA-N
XLogP4.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 133477637
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
6-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 71791844
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenoxy)propyl]pyridazin-3-amine
CID 133323969
N-[1-(2-bromophenyl)ethyl]-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488915
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
(1R)-1-(2-bromophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81383502
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine (CID 112818314) is N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NC(C)c3ccccc3Br)nn2)n1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is RIESUVMXYUTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5/c1-11-10-12(2)23(22-11)17-9-8-16(20-21-17)19-13(3)14-6-4-5-7-15(14)18/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 372.27 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 112818314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).