3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide

C23H25F2N3O3S — CID 121252296

IUPAC3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O3S/c1-14-8-6-9-15(2)16(14)13-28-19(12-20(26-28)23(3,4)5)22(29)27-32(30,31)21-17(24)10-7-11-18(21)25/h6-12H,13H2,1-5H3,(H,27,29)
InChIKeyYOBNKANZFPMBFO-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.24
Rot. Bonds5

About 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide

3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 121252296) has the molecular formula C23H25F2N3O3S and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID121252296
Molecular FormulaC23H25F2N3O3S
Molecular Weight461.53 g/mol
Exact Mass461.16
IUPAC Name3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O3S/c1-14-8-6-9-15(2)16(14)13-28-19(12-20(26-28)23(3,4)5)22(29)27-32(30,31)21-17(24)10-7-11-18(21)25/h6-12H,13H2,1-5H3,(H,27,29)
InChIKeyYOBNKANZFPMBFO-UHFFFAOYSA-N
XLogP4.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
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CID 2810094
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide
CID 2812921
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
3-methyl-1-(piperidin-3-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10928313
1-(4-aminobutyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11730277
3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 2747306
5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide
CID 2809849
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
1-[[3-Tert-butyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carbonyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2747274
1-benzyl-3-tert-butyl-N-(3-sulfamoylphenyl)pyrazole-5-carboxamide
CID 2812922
1-benzyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide (CID 121252296) is 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide is Cc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is YOBNKANZFPMBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3S/c1-14-8-6-9-15(2)16(14)13-28-19(12-20(26-28)23(3,4)5)22(29)27-32(30,31)21-17(24)10-7-11-18(21)25/h6-12H,13H2,1-5H3,(H,27,29).
What are the key properties of 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121252296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).