N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide

C15H21N3O2S — CID 6499783

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-11-5-7-15(8-6-11)21(19,20)16-10-14(4)18-13(3)9-12(2)17-18/h5-9,14,16H,10H2,1-4H3
InChIKeyRAYQPDUSRTXINJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 6499783) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID6499783
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-11-5-7-15(8-6-11)21(19,20)16-10-14(4)18-13(3)9-12(2)17-18/h5-9,14,16H,10H2,1-4H3
InChIKeyRAYQPDUSRTXINJ-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide (CID 6499783) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is RAYQPDUSRTXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-5-7-15(8-6-11)21(19,20)16-10-14(4)18-13(3)9-12(2)17-18/h5-9,14,16H,10H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6499783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).