1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

C17H18N6O3S — CID 19474237

IUPAC1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)n1
InChIInChI=1S/C17H18N6O3S/c1-3-23-11-15(12(2)21-23)16(24)20-13-5-7-14(8-6-13)27(25,26)22-17-18-9-4-10-19-17/h4-11H,3H2,1-2H3,(H,20,24)(H,18,19,22)
InChIKeyRSBHWWPRKQKKBS-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.05
Rot. Bonds6

About 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 19474237) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID19474237
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)n1
InChIInChI=1S/C17H18N6O3S/c1-3-23-11-15(12(2)21-23)16(24)20-13-5-7-14(8-6-13)27(25,26)22-17-18-9-4-10-19-17/h4-11H,3H2,1-2H3,(H,20,24)(H,18,19,22)
InChIKeyRSBHWWPRKQKKBS-UHFFFAOYSA-N
XLogP2.05
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 19518582
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 26912608
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 19474237) is 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RSBHWWPRKQKKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-3-23-11-15(12(2)21-23)16(24)20-13-5-7-14(8-6-13)27(25,26)22-17-18-9-4-10-19-17/h4-11H,3H2,1-2H3,(H,20,24)(H,18,19,22).
What are the key properties of 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).