(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone

C9H7BrN4O — CID 105135299

IUPAC(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
SMILESCn1ncc(Br)c1C(=O)c1ccnnc1
InChIInChI=1S/C9H7BrN4O/c1-14-8(7(10)5-13-14)9(15)6-2-3-11-12-4-6/h2-5H,1H3
InChIKeyMMSNZYABVKKQHK-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.20
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone

(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone (PubChem CID 105135299) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
PubChem CID105135299
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
SMILESCn1ncc(Br)c1C(=O)c1ccnnc1
InChIInChI=1S/C9H7BrN4O/c1-14-8(7(10)5-13-14)9(15)6-2-3-11-12-4-6/h2-5H,1H3
InChIKeyMMSNZYABVKKQHK-UHFFFAOYSA-N
XLogP1.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35762905
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496
(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114670896
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
(4-bromo-1-methylpyrazol-5-yl)-(3-iodothiophen-2-yl)methanone
CID 130576559
(4-bromo-1-methylpyrazol-5-yl)-(2H-triazol-4-yl)methanone
CID 114641783
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone (CID 105135299) is (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone is Cn1ncc(Br)c1C(=O)c1ccnnc1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone?
The InChIKey is MMSNZYABVKKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c1-14-8(7(10)5-13-14)9(15)6-2-3-11-12-4-6/h2-5H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone?
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone has a molecular weight of 267.09 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).