5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride

C10H10Cl2N4O2S — CID 103294611

IUPAC5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
SMILESCC(C)c1nn(-c2cccnn2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H10Cl2N4O2S/c1-6(2)8-9(19(12,17)18)10(11)16(15-8)7-4-3-5-13-14-7/h3-6H,1-2H3
InChIKeyYYOLEXPHXDEZOT-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.37
Rot. Bonds3

About 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride

5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride (PubChem CID 103294611) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
PubChem CID103294611
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
SMILESCC(C)c1nn(-c2cccnn2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H10Cl2N4O2S/c1-6(2)8-9(19(12,17)18)10(11)16(15-8)7-4-3-5-13-14-7/h3-6H,1-2H3
InChIKeyYYOLEXPHXDEZOT-UHFFFAOYSA-N
XLogP2.37
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
5-chloro-1-(3-cyanophenyl)-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82915844
5-chloro-1-methyl-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 18981626
3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
CID 103294273
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
5-chloro-3-(2-methylpropyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-sulfonyl chloride
CID 82916492
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
5-chloro-1-(2-ethylsulfonylethyl)-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82918522
5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
CID 103294235
3-tert-butyl-5-chloro-1-(6-methylpyridazin-3-yl)pyrazole-4-sulfonyl chloride
CID 82916491
5-chloro-1-cycloheptyl-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82918298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride (CID 103294611) is 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride is CC(C)c1nn(-c2cccnn2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride?
The InChIKey is YYOLEXPHXDEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c1-6(2)8-9(19(12,17)18)10(11)16(15-8)7-4-3-5-13-14-7/h3-6H,1-2H3.
What are the key properties of 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride?
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride has a molecular weight of 321.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 103294611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).