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

C18H23N5O2S — CID 3461294

IUPACN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cnn(C)c3C)c2C)c1
InChIInChI=1S/C18H23N5O2S/c1-12-7-6-8-16(9-12)11-23-15(4)18(13(2)20-23)21-26(24,25)17-10-19-22(5)14(17)3/h6-10,21H,11H2,1-5H3
InChIKeyGQFCGANCEAXIOR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.70
Rot. Bonds5

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

N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 3461294) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID3461294
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cnn(C)c3C)c2C)c1
InChIInChI=1S/C18H23N5O2S/c1-12-7-6-8-16(9-12)11-23-15(4)18(13(2)20-23)21-26(24,25)17-10-19-22(5)14(17)3/h6-10,21H,11H2,1-5H3
InChIKeyGQFCGANCEAXIOR-UHFFFAOYSA-N
XLogP2.70
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346727
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22205539
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203126
(E)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19338641
4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22205529
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22206332
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 3461294) is N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cnn(C)c3C)c2C)c1.
What is the InChIKey of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GQFCGANCEAXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-7-6-8-16(9-12)11-23-15(4)18(13(2)20-23)21-26(24,25)17-10-19-22(5)14(17)3/h6-10,21H,11H2,1-5H3.
What are the key properties of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3461294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).