5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride

C13H12Cl2N2O3S — CID 82916844

IUPAC5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride
SMILESCOc1ccc(-n2nc(C3CC3)c(S(=O)(=O)Cl)c2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-10-6-4-9(5-7-10)17-13(14)12(21(15,18)19)11(16-17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZLYSTDGYOCMPTJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride

5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride (PubChem CID 82916844) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride
PubChem CID82916844
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride
SMILESCOc1ccc(-n2nc(C3CC3)c(S(=O)(=O)Cl)c2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-10-6-4-9(5-7-10)17-13(14)12(21(15,18)19)11(16-17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZLYSTDGYOCMPTJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
1-(4-bromophenyl)-5-chloro-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 82918876
1-cyclohexyl-3-(4-methoxyphenyl)-4-methylcyclopenta[d]pyridazine
CID 102523054
4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
CID 145464422
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
5-bromo-6-cyclopropyl-3-(4-methoxyphenyl)pyrimidin-4-one
CID 165478529
6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 29090062
3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3574521
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
CID 71662984
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride (CID 82916844) is 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride is COc1ccc(-n2nc(C3CC3)c(S(=O)(=O)Cl)c2Cl)cc1.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is ZLYSTDGYOCMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-10-6-4-9(5-7-10)17-13(14)12(21(15,18)19)11(16-17)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride?
5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 347.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82916844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).