N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide

C17H21N5O2S — CID 22202446

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C17H21N5O2S/c1-12-16(11-21(4)18-12)25(23,24)20-17-13(2)19-22(14(17)3)10-15-8-6-5-7-9-15/h5-9,11,20H,10H2,1-4H3
InChIKeyNKAIZZSJLWVLHK-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.39
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 22202446) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID22202446
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C17H21N5O2S/c1-12-16(11-21(4)18-12)25(23,24)20-17-13(2)19-22(14(17)3)10-15-8-6-5-7-9-15/h5-9,11,20H,10H2,1-4H3
InChIKeyNKAIZZSJLWVLHK-UHFFFAOYSA-N
XLogP2.39
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022898
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202444
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22202397
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 22202423
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461294
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498502
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide (CID 22202446) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is NKAIZZSJLWVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-12-16(11-21(4)18-12)25(23,24)20-17-13(2)19-22(14(17)3)10-15-8-6-5-7-9-15/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22202446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).