3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

C14H22N4O2S — CID 110415649

IUPAC3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-9-8-13(12(4)18(9)5)6-7-15-21(19,20)14-10(2)16-17-11(14)3/h8,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyZMAZVDXMWBBLDH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.50
Rot. Bonds5

About 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110415649) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110415649
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-9-8-13(12(4)18(9)5)6-7-15-21(19,20)14-10(2)16-17-11(14)3/h8,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyZMAZVDXMWBBLDH-UHFFFAOYSA-N
XLogP1.50
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
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N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
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N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
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N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914971
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110415649) is 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1cc(C)n(C)c1C.
What is the InChIKey of 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ZMAZVDXMWBBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-8-13(12(4)18(9)5)6-7-15-21(19,20)14-10(2)16-17-11(14)3/h8,15H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110415649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).