1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole

C18H24N4O4S2 — CID 71875967

IUPAC1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCCC3)cn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H24N4O4S2/c1-15-6-7-16(12-18(15)28(25,26)21-10-4-5-11-21)22-14-17(13-19-22)27(23,24)20-8-2-3-9-20/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyWAUXFDMOEDTDBN-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole (PubChem CID 71875967) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole.

Molecular Properties

Compound Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
PubChem CID71875967
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCCC3)cn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H24N4O4S2/c1-15-6-7-16(12-18(15)28(25,26)21-10-4-5-11-21)22-14-17(13-19-22)27(23,24)20-8-2-3-9-20/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyWAUXFDMOEDTDBN-UHFFFAOYSA-N
XLogP1.75
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 142611659
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609
3-(4-methylpyrazol-1-yl)-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 56879277
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
CID 121034214
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole?
The IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole (CID 71875967) is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole.
What is the SMILES notation for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole?
The canonical SMILES for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole is Cc1ccc(-n2cc(S(=O)(=O)N3CCCC3)cn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole?
The InChIKey is WAUXFDMOEDTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-15-6-7-16(12-18(15)28(25,26)21-10-4-5-11-21)22-14-17(13-19-22)27(23,24)20-8-2-3-9-20/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole?
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole has a molecular weight of 424.55 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole is sourced from PubChem (CID 71875967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).