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

C12H13BrN4O2 — CID 103373349

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)nn1
InChIInChI=1S/C12H13BrN4O2/c1-3-6-17-11(8(13)7-14-17)12(18)9-4-5-10(19-2)16-15-9/h4-5,7H,3,6H2,1-2H3
InChIKeySHUIFSJCPYRYGK-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.09
Rot. Bonds5

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

(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373349) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373349
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)nn1
InChIInChI=1S/C12H13BrN4O2/c1-3-6-17-11(8(13)7-14-17)12(18)9-4-5-10(19-2)16-15-9/h4-5,7H,3,6H2,1-2H3
InChIKeySHUIFSJCPYRYGK-UHFFFAOYSA-N
XLogP2.09
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
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(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
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CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
CID 115804636
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950211
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone (CID 103373349) is (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(OC)nn1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is SHUIFSJCPYRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-3-6-17-11(8(13)7-14-17)12(18)9-4-5-10(19-2)16-15-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 325.17 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).