3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide

C11H21N3O2S — CID 112699300

IUPAC3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H21N3O2S/c1-8(2)5-6-17(15,16)14-11-7-10(9(3)4)12-13-11/h7-9H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyXNPGMNGQDNCJEQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.32
Rot. Bonds6

About 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide

3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide (PubChem CID 112699300) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
PubChem CID112699300
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H21N3O2S/c1-8(2)5-6-17(15,16)14-11-7-10(9(3)4)12-13-11/h7-9H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyXNPGMNGQDNCJEQ-UHFFFAOYSA-N
XLogP2.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
CID 104620778
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 97097944
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide (CID 112699300) is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The InChIKey is XNPGMNGQDNCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(2)5-6-17(15,16)14-11-7-10(9(3)4)12-13-11/h7-9H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide?
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide has a molecular weight of 259.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 112699300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).