N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide

C25H31N5O5S — CID 53336802

IUPACN-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1
InChIInChI=1S/C25H31N5O5S/c1-17-7-6-8-23(18(17)2)29-9-11-30(12-10-29)36(32,33)25-22(16-28(3)27-25)24(31)26-19-13-20(34-4)15-21(14-19)35-5/h6-8,13-16H,9-12H2,1-5H3,(H,26,31)
InChIKeyGNDQEWLJVILGDG-UHFFFAOYSA-N
MW513.62 g/mol
LogP2.82
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide (PubChem CID 53336802) has the molecular formula C25H31N5O5S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
PubChem CID53336802
Molecular FormulaC25H31N5O5S
Molecular Weight513.62 g/mol
Exact Mass513.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1
InChIInChI=1S/C25H31N5O5S/c1-17-7-6-8-23(18(17)2)29-9-11-30(12-10-29)36(32,33)25-22(16-28(3)27-25)24(31)26-19-13-20(34-4)15-21(14-19)35-5/h6-8,13-16H,9-12H2,1-5H3,(H,26,31)
InChIKeyGNDQEWLJVILGDG-UHFFFAOYSA-N
XLogP2.82
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 53336837
ethyl 4-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53336816
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide
CID 53142735
N-[(2,4-difluorophenyl)methyl]-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carboxamide
CID 53336962
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-[(1R)-1-phenylethyl]pyrazole-4-carboxamide
CID 95186237
methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
1-[4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53336912
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 53336982
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 53142726
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
CID 53142985

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide (CID 53336802) is N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide is COc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The InChIKey is GNDQEWLJVILGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5S/c1-17-7-6-8-23(18(17)2)29-9-11-30(12-10-29)36(32,33)25-22(16-28(3)27-25)24(31)26-19-13-20(34-4)15-21(14-19)35-5/h6-8,13-16H,9-12H2,1-5H3,(H,26,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 53336802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).