3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide

C12H23N3O2S — CID 63855885

IUPAC3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H23N3O2S/c1-10(2)6-8-18(16,17)14-7-4-5-12-9-13-15-11(12)3/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyHBHCGUUJSKRNTM-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.62
Rot. Bonds8

About 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide

3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide (PubChem CID 63855885) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
PubChem CID63855885
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H23N3O2S/c1-10(2)6-8-18(16,17)14-7-4-5-12-9-13-15-11(12)3/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyHBHCGUUJSKRNTM-UHFFFAOYSA-N
XLogP1.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62038196
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]hexan-2-amine
CID 62038562
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 62040501
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
N-[1-(2,6-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide (CID 63855885) is 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide is Cc1[nH]ncc1CCCNS(=O)(=O)CCC(C)C.
What is the InChIKey of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide?
The InChIKey is HBHCGUUJSKRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10(2)6-8-18(16,17)14-7-4-5-12-9-13-15-11(12)3/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide?
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 63855885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).