N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide

C21H24N6O4S — CID 70638448

IUPACN-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cc(C)n(C(=O)CCNS(=O)(=O)c2ccc(CCNC(=O)c3cnccn3)cc2)n1
InChIInChI=1S/C21H24N6O4S/c1-15-13-16(2)27(26-15)20(28)8-10-25-32(30,31)18-5-3-17(4-6-18)7-9-24-21(29)19-14-22-11-12-23-19/h3-6,11-14,25H,7-10H2,1-2H3,(H,24,29)
InChIKeyBFPZQZJETNOZDC-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.27
Rot. Bonds9

About N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide

N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 70638448) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID70638448
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cc(C)n(C(=O)CCNS(=O)(=O)c2ccc(CCNC(=O)c3cnccn3)cc2)n1
InChIInChI=1S/C21H24N6O4S/c1-15-13-16(2)27(26-15)20(28)8-10-25-32(30,31)18-5-3-17(4-6-18)7-9-24-21(29)19-14-22-11-12-23-19/h3-6,11-14,25H,7-10H2,1-2H3,(H,24,29)
InChIKeyBFPZQZJETNOZDC-UHFFFAOYSA-N
XLogP1.27
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-[4-(3-aminopropanoyl)-3,5-dimethylpyrazol-1-yl]sulfonylphenyl]ethyl]pyrazine-2-carboxamide
CID 70638451
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
CID 108574675
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 110796168
N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
CID 70638199
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide (CID 70638448) is N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide is Cc1cc(C)n(C(=O)CCNS(=O)(=O)c2ccc(CCNC(=O)c3cnccn3)cc2)n1.
What is the InChIKey of N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is BFPZQZJETNOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-15-13-16(2)27(26-15)20(28)8-10-25-32(30,31)18-5-3-17(4-6-18)7-9-24-21(29)19-14-22-11-12-23-19/h3-6,11-14,25H,7-10H2,1-2H3,(H,24,29).
What are the key properties of N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide?
N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).