3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide

C24H30N4O4S — CID 121251673

IUPAC3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1cccnc1S(=O)(=O)NC(=O)c1cc(C(C)(C)C)nn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C24H30N4O4S/c1-15-11-16(2)18(17(3)12-15)14-28-19(13-21(26-28)24(4,5)6)22(29)27-33(30,31)23-20(32-7)9-8-10-25-23/h8-13H,14H2,1-7H3,(H,27,29)
InChIKeyOWJRRKRILPTAGQ-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.68
Rot. Bonds6

About 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide

3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 121251673) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID121251673
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1cccnc1S(=O)(=O)NC(=O)c1cc(C(C)(C)C)nn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C24H30N4O4S/c1-15-11-16(2)18(17(3)12-15)14-28-19(13-21(26-28)24(4,5)6)22(29)27-33(30,31)23-20(32-7)9-8-10-25-23/h8-13H,14H2,1-7H3,(H,27,29)
InChIKeyOWJRRKRILPTAGQ-UHFFFAOYSA-N
XLogP3.68
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562
3-tert-butyl-N-(2-cyanophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide;3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxylic acid;molecular hydrogen
CID 158707968
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252002
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(4-fluoro-2-methoxyphenyl)pyrazole-5-carboxamide
CID 121253642
N-(benzenesulfonyl)-3-tert-butyl-1-[1-(2-methoxyphenyl)ethyl]pyrazole-5-carboxamide
CID 175078781
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251222
N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-(naphthalen-1-ylmethyl)pyrazole-5-carboxamide
CID 121253120
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 166351087
6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251189
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 121253134
3-tert-butyl-N-(1-methylindol-7-yl)sulfonyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 121252546

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide (CID 121251673) is 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide is COc1cccnc1S(=O)(=O)NC(=O)c1cc(C(C)(C)C)nn1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is OWJRRKRILPTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-15-11-16(2)18(17(3)12-15)14-28-19(13-21(26-28)24(4,5)6)22(29)27-33(30,31)23-20(32-7)9-8-10-25-23/h8-13H,14H2,1-7H3,(H,27,29).
What are the key properties of 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide?
3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121251673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).