1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate

C11H17ClN2O5S — CID 103491170

IUPAC1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
SMILESCCOCC(C)OC(=O)c1n[nH]c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C11H17ClN2O5S/c1-4-8-10(20(12,16)17)9(14-13-8)11(15)19-7(3)6-18-5-2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyHRDHYPMIAMOSSP-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.48
Rot. Bonds7

About 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate

1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate (PubChem CID 103491170) has the molecular formula C11H17ClN2O5S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
PubChem CID103491170
Molecular FormulaC11H17ClN2O5S
Molecular Weight324.79 g/mol
Exact Mass324.05
IUPAC Name1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
SMILESCCOCC(C)OC(=O)c1n[nH]c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C11H17ClN2O5S/c1-4-8-10(20(12,16)17)9(14-13-8)11(15)19-7(3)6-18-5-2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyHRDHYPMIAMOSSP-UHFFFAOYSA-N
XLogP1.48
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
butyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65396345
pentan-2-yl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 102988336
oxetan-3-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 102608546
5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65396671
3-[butan-2-yl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65370725
1-ethoxypropan-2-yl 4-chlorosulfonyl-1H-pyrrole-2-carboxylate
CID 103491161
octan-2-yl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 65374892
5-ethyl-3-(2,3,3-trimethylbutylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 83145354
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate (CID 103491170) is 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate is CCOCC(C)OC(=O)c1n[nH]c(CC)c1S(=O)(=O)Cl.
What is the InChIKey of 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate?
The InChIKey is HRDHYPMIAMOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O5S/c1-4-8-10(20(12,16)17)9(14-13-8)11(15)19-7(3)6-18-5-2/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate?
1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate has a molecular weight of 324.79 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 103491170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).