N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

C24H27N5O3S — CID 22203126

IUPACN-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C24H27N5O3S/c1-16-23(27-33(30,31)24-17(2)25-28(5)19(24)4)18(3)29(26-16)15-20-10-9-13-22(14-20)32-21-11-7-6-8-12-21/h6-14,27H,15H2,1-5H3
InChIKeyMCRXTYOUZNWSMZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.49
Rot. Bonds7

About N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22203126) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22203126
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C24H27N5O3S/c1-16-23(27-33(30,31)24-17(2)25-28(5)19(24)4)18(3)29(26-16)15-20-10-9-13-22(14-20)32-21-11-7-6-8-12-21/h6-14,27H,15H2,1-5H3
InChIKeyMCRXTYOUZNWSMZ-UHFFFAOYSA-N
XLogP4.49
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzenesulfonamide
CID 22203103
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206352
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22205571
1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19679536
4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-4-oxobutanoate
CID 5184450
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22206332
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22206327
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 138021177
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461294

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22203126) is N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MCRXTYOUZNWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-16-23(27-33(30,31)24-17(2)25-28(5)19(24)4)18(3)29(26-16)15-20-10-9-13-22(14-20)32-21-11-7-6-8-12-21/h6-14,27H,15H2,1-5H3.
What are the key properties of N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 465.58 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).