1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide

C18H24N4O4S — CID 171133591

IUPAC1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H24N4O4S/c1-4-22-14(3)17(13(2)19-22)27(24,25)20-16-7-5-15(6-8-16)18(23)21-9-11-26-12-10-21/h5-8,20H,4,9-12H2,1-3H3
InChIKeyWJQDSISJNMQLRD-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.79
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 171133591) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
PubChem CID171133591
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H24N4O4S/c1-4-22-14(3)17(13(2)19-22)27(24,25)20-16-7-5-15(6-8-16)18(23)21-9-11-26-12-10-21/h5-8,20H,4,9-12H2,1-3H3
InChIKeyWJQDSISJNMQLRD-UHFFFAOYSA-N
XLogP1.79
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide (CID 171133591) is 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is WJQDSISJNMQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-22-14(3)17(13(2)19-22)27(24,25)20-16-7-5-15(6-8-16)18(23)21-9-11-26-12-10-21/h5-8,20H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 171133591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).