ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate

C10H14Cl2N2O4S — CID 82919175

IUPACethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate
SMILESCCCc1nn(CC(=O)OCC)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H14Cl2N2O4S/c1-3-5-7-9(19(12,16)17)10(11)14(13-7)6-8(15)18-4-2/h3-6H2,1-2H3
InChIKeyCSDALHOVTKRQCG-UHFFFAOYSA-N
MW329.21 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate

ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate (PubChem CID 82919175) has the molecular formula C10H14Cl2N2O4S and a molecular weight of 329.21 g/mol. Its IUPAC name is ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate
PubChem CID82919175
Molecular FormulaC10H14Cl2N2O4S
Molecular Weight329.21 g/mol
Exact Mass328.01
IUPAC Nameethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate
SMILESCCCc1nn(CC(=O)OCC)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H14Cl2N2O4S/c1-3-5-7-9(19(12,16)17)10(11)14(13-7)6-8(15)18-4-2/h3-6H2,1-2H3
InChIKeyCSDALHOVTKRQCG-UHFFFAOYSA-N
XLogP1.98
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate (CID 82919175) is ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate is CCCc1nn(CC(=O)OCC)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate?
The InChIKey is CSDALHOVTKRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O4S/c1-3-5-7-9(19(12,16)17)10(11)14(13-7)6-8(15)18-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate?
ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate has a molecular weight of 329.21 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate is sourced from PubChem (CID 82919175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).