5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride

C11H12Cl2N4O2S — CID 82918302

IUPAC5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(-c2ccc(C)nn2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-3-4-8-10(20(13,18)19)11(12)17(16-8)9-6-5-7(2)14-15-9/h5-6H,3-4H2,1-2H3
InChIKeyHAEQSBRTJRHFJF-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride

5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride (PubChem CID 82918302) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride
PubChem CID82918302
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(-c2ccc(C)nn2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-3-4-8-10(20(13,18)19)11(12)17(16-8)9-6-5-7(2)14-15-9/h5-6H,3-4H2,1-2H3
InChIKeyHAEQSBRTJRHFJF-UHFFFAOYSA-N
XLogP2.50
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride (CID 82918302) is 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride is CCCc1nn(-c2ccc(C)nn2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride?
The InChIKey is HAEQSBRTJRHFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-3-4-8-10(20(13,18)19)11(12)17(16-8)9-6-5-7(2)14-15-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride?
5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride has a molecular weight of 335.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).