3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride

C13H22ClN3O3S — CID 82912297

IUPAC3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC2CN(C)CCO2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C13H22ClN3O3S/c1-4-11-13(21(14,18)19)12(5-2)17(15-11)9-10-8-16(3)6-7-20-10/h10H,4-9H2,1-3H3
InChIKeyGUQXDEBVLCFULH-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.27
Rot. Bonds5

About 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride

3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 82912297) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID82912297
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC2CN(C)CCO2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C13H22ClN3O3S/c1-4-11-13(21(14,18)19)12(5-2)17(15-11)9-10-8-16(3)6-7-20-10/h10H,4-9H2,1-3H3
InChIKeyGUQXDEBVLCFULH-UHFFFAOYSA-N
XLogP1.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride (CID 82912297) is 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride is CCc1nn(CC2CN(C)CCO2)c(CC)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is GUQXDEBVLCFULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-4-11-13(21(14,18)19)12(5-2)17(15-11)9-10-8-16(3)6-7-20-10/h10H,4-9H2,1-3H3.
What are the key properties of 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride?
3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 335.86 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82912297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).