3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole

C9H15N3O2S — CID 4736860

IUPAC3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H15N3O2S/c1-7-9(8(2)11-10-7)15(13,14)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,11)
InChIKeyJZSPPJHGZBWPDI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.81
Rot. Bonds2

About 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole

3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole (PubChem CID 4736860) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
PubChem CID4736860
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H15N3O2S/c1-7-9(8(2)11-10-7)15(13,14)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,11)
InChIKeyJZSPPJHGZBWPDI-UHFFFAOYSA-N
XLogP0.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
1-(2-chloroethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane
CID 63397082
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 110328647
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 60960310
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine
CID 122332190
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]acetonitrile
CID 28705369
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole (CID 4736860) is 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The InChIKey is JZSPPJHGZBWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-9(8(2)11-10-7)15(13,14)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole has a molecular weight of 229.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole is sourced from PubChem (CID 4736860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).