N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide

C22H22N4O3S — CID 167263148

IUPACN,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2)n1
InChIInChI=1S/C22H22N4O3S/c1-15-4-7-19(8-5-15)30(28,29)26-11-10-18-13-17(6-9-21(18)26)14-25-16(2)12-20(24-25)22(27)23-3/h4-13H,14H2,1-3H3,(H,23,27)
InChIKeyKRWFERMGALNJNU-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.10
Rot. Bonds5

About N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide

N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide (PubChem CID 167263148) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide
PubChem CID167263148
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2)n1
InChIInChI=1S/C22H22N4O3S/c1-15-4-7-19(8-5-15)30(28,29)26-11-10-18-13-17(6-9-21(18)26)14-25-16(2)12-20(24-25)22(27)23-3/h4-13H,14H2,1-3H3,(H,23,27)
InChIKeyKRWFERMGALNJNU-UHFFFAOYSA-N
XLogP3.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(methylcarbamoyl)-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-5-carboxylate
CID 142418228
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603
1-(4-ethylphenyl)sulfonylindole-5-carbonitrile
CID 46890868
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide (CID 167263148) is N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide is CNC(=O)c1cc(C)n(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2)n1.
What is the InChIKey of N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is KRWFERMGALNJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15-4-7-19(8-5-15)30(28,29)26-11-10-18-13-17(6-9-21(18)26)14-25-16(2)12-20(24-25)22(27)23-3/h4-13H,14H2,1-3H3,(H,23,27).
What are the key properties of N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide?
N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167263148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).