4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine

C15H14BrN5 — CID 104670712

IUPAC4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)nn1
InChIInChI=1S/C15H14BrN5/c1-8-7-11(9(2)19-18-8)14-13(15(17)21-20-14)10-5-3-4-6-12(10)16/h3-7H,1-2H3,(H3,17,20,21)
InChIKeyGABLQXBOCLTVTD-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.50
Rot. Bonds2

About 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine (PubChem CID 104670712) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
PubChem CID104670712
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)nn1
InChIInChI=1S/C15H14BrN5/c1-8-7-11(9(2)19-18-8)14-13(15(17)21-20-14)10-5-3-4-6-12(10)16/h3-7H,1-2H3,(H3,17,20,21)
InChIKeyGABLQXBOCLTVTD-UHFFFAOYSA-N
XLogP3.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine (CID 104670712) is 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)nn1.
What is the InChIKey of 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine?
The InChIKey is GABLQXBOCLTVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-8-7-11(9(2)19-18-8)14-13(15(17)21-20-14)10-5-3-4-6-12(10)16/h3-7H,1-2H3,(H3,17,20,21).
What are the key properties of 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine has a molecular weight of 344.22 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104670712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).