N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C17H20N6O3S — CID 78886380

IUPACN-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N6O3S/c1-9-5-6-12(7-15(9)27(18,25)26)19-17(24)14-8-13(20-21-14)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21)(H2,18,25,26)
InChIKeyKACAQMISZYUOTK-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.64
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78886380) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78886380
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N6O3S/c1-9-5-6-12(7-15(9)27(18,25)26)19-17(24)14-8-13(20-21-14)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21)(H2,18,25,26)
InChIKeyKACAQMISZYUOTK-UHFFFAOYSA-N
XLogP1.64
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78886380) is N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KACAQMISZYUOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-9-5-6-12(7-15(9)27(18,25)26)19-17(24)14-8-13(20-21-14)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21)(H2,18,25,26).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78886380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).