4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

C18H24ClN3O3S — CID 19931968

IUPAC4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C18H24ClN3O3S/c1-6-8-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(4)9-12(3)10-14(16)5/h9-11H,6-8H2,1-5H3
InChIKeyOHOQCMQESKENJX-UHFFFAOYSA-N
MW397.93 g/mol
LogP3.99
Rot. Bonds5

About 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931968) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931968
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C18H24ClN3O3S/c1-6-8-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(4)9-12(3)10-14(16)5/h9-11H,6-8H2,1-5H3
InChIKeyOHOQCMQESKENJX-UHFFFAOYSA-N
XLogP3.99
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (CID 19931968) is 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is CCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is OHOQCMQESKENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-6-8-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(4)9-12(3)10-14(16)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 397.93 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).