3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide

C25H23N5O2S — CID 22204607

IUPAC3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C25H23N5O2S/c1-18-25(19(2)30(27-18)23-12-4-3-5-13-23)33(31,32)28-22-15-26-29(17-22)16-21-11-8-10-20-9-6-7-14-24(20)21/h3-15,17,28H,16H2,1-2H3
InChIKeyPAGKTDMHXBPKNZ-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.69
Rot. Bonds6

About 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide

3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 22204607) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
PubChem CID22204607
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C25H23N5O2S/c1-18-25(19(2)30(27-18)23-12-4-3-5-13-23)33(31,32)28-22-15-26-29(17-22)16-21-11-8-10-20-9-6-7-14-24(20)21/h3-15,17,28H,16H2,1-2H3
InChIKeyPAGKTDMHXBPKNZ-UHFFFAOYSA-N
XLogP4.69
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22207109
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204570
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477594

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide (CID 22204607) is 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is PAGKTDMHXBPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-18-25(19(2)30(27-18)23-12-4-3-5-13-23)33(31,32)28-22-15-26-29(17-22)16-21-11-8-10-20-9-6-7-14-24(20)21/h3-15,17,28H,16H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 457.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22204607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).