(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone

C11H11BrN4O2 — CID 103373313

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(OC)nn1
InChIInChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)6-13-16)11(17)8-4-5-9(18-2)15-14-8/h4-6H,3H2,1-2H3
InChIKeyRDTYDFNBXSJQQF-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.70
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373313) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373313
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(OC)nn1
InChIInChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)6-13-16)11(17)8-4-5-9(18-2)15-14-8/h4-6H,3H2,1-2H3
InChIKeyRDTYDFNBXSJQQF-UHFFFAOYSA-N
XLogP1.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
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(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
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1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
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(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
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CID 107996691
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(E)-1-(4-bromo-1-ethylpyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 19569243

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone (CID 103373313) is (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone is CCn1ncc(Br)c1C(=O)c1ccc(OC)nn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is RDTYDFNBXSJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)6-13-16)11(17)8-4-5-9(18-2)15-14-8/h4-6H,3H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 311.14 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).