3-Amino-N-(2-{4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carbonyl)sulfamoyl]phenyl}ethyl)pyrazine-2-carboxamide

HCID 335133

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Basic information

CAS: 74210-78-9
Standard SMILES: CC1=NN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3nccnc3N)cc2)C(C)(C)C1
InChIKey: TWUNBDFYJDVGCF-UHFFFAOYSA-N
Molecular formula: C20H25N7O4S
Average molar mass: 459.5 g/mol
Monoisotopic mass: 459.16887348

Names & identifiers

Preferred name: 3-Amino-N-(2-{4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carbonyl)sulfamoyl]phenyl}ethyl)pyrazine-2-carboxamide
IUPAC: 3-amino-N-[2-[4-[(3,5,5-trimethyl-4H-pyrazole-1-carbonyl)sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide

Names & synonyms

NSC34350574210-78-9DTXSID00319285NSC-3435053-Amino-N-(2-{4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carbonyl)sulfamoyl]phenyl}ethyl)pyrazine-2-carboxamide3-amino-N-[2-[4-[(3,5,5-trimethyl-4H-pyrazole-1-carbonyl)sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamideDS-0140783-amino-N-[2-[4-[(3,5,5-trimethyl4H-pyrazole-1-carbonyl)sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide3-Amino-N-[2-[4-[(3,5-trimethyl-4H-pyrazole-1-carbonyl)sulfamoyl]phenyl] ethyl]pyrazine-2-carboxamide3-Amino-N-{2-[4-({[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)carbonyl]amino}sulfonyl)phenyl]ethyl}pyrazine-2-carboxamide

Database identifiers

CAS: 74210-78-9
PubChem CID: 335133
DTXSID: DTXSID00319285

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 168 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 831

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