N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C19H24N6O3S — CID 78881896

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1
InChIInChI=1S/C19H24N6O3S/c1-12-18(13(2)25(4)24-12)16-9-17(23-22-16)19(26)21-10-14-5-7-15(8-6-14)11-29(27,28)20-3/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyBZZMWKROPHLHRU-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.41
Rot. Bonds7

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78881896) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78881896
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1
InChIInChI=1S/C19H24N6O3S/c1-12-18(13(2)25(4)24-12)16-9-17(23-22-16)19(26)21-10-14-5-7-15(8-6-14)11-29(27,28)20-3/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyBZZMWKROPHLHRU-UHFFFAOYSA-N
XLogP1.41
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78881896) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BZZMWKROPHLHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-12-18(13(2)25(4)24-12)16-9-17(23-22-16)19(26)21-10-14-5-7-15(8-6-14)11-29(27,28)20-3/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78881896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).