1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine

C12H9BrN4O — CID 141445000

IUPAC1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine
SMILESCOc1cc2cnn(-c3cccc(Br)c3)c2nn1
InChIInChI=1S/C12H9BrN4O/c1-18-11-5-8-7-14-17(12(8)16-15-11)10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyANPDVEFCZHMPDJ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine

1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine (PubChem CID 141445000) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine
PubChem CID141445000
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine
SMILESCOc1cc2cnn(-c3cccc(Br)c3)c2nn1
InChIInChI=1S/C12H9BrN4O/c1-18-11-5-8-7-14-17(12(8)16-15-11)10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyANPDVEFCZHMPDJ-UHFFFAOYSA-N
XLogP2.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
CID 115069018
2-(3-bromophenyl)-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846322
1-(3-bromophenyl)-5-fluoropyrazol-4-amine
CID 115047671
(1R,2S)-1-[1-(3-bromophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-amine
CID 57432102
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
CID 82528324
10-(3-bromophenyl)-4-[(4-methoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605281
1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 161145411
6-bromo-1-(3-methylphenyl)indazole
CID 142432399
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542709
1-(3-bromophenyl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82196991

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine?
The IUPAC name of 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine (CID 141445000) is 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine?
The canonical SMILES for 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine is COc1cc2cnn(-c3cccc(Br)c3)c2nn1.
What is the InChIKey of 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine?
The InChIKey is ANPDVEFCZHMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c1-18-11-5-8-7-14-17(12(8)16-15-11)10-4-2-3-9(13)6-10/h2-7H,1H3.
What are the key properties of 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine?
1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine has a molecular weight of 305.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 141445000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).