1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

C13H21N5O2S — CID 71688277

IUPAC1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5O2S/c1-9(2)18-8-12(6-14-18)21(19,20)15-7-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3
InChIKeyKRASUYXPLRPSDY-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.29
Rot. Bonds5

About 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71688277) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71688277
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5O2S/c1-9(2)18-8-12(6-14-18)21(19,20)15-7-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3
InChIKeyKRASUYXPLRPSDY-UHFFFAOYSA-N
XLogP1.29
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 79232961
N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
CID 172691631
N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 97239341
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 71688277) is 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(C(C)C)c1.
What is the InChIKey of 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is KRASUYXPLRPSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-9(2)18-8-12(6-14-18)21(19,20)15-7-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3.
What are the key properties of 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).