1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine

C20H28N4O2S — CID 110637959

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C20H28N4O2S/c1-16-19(17(2)22-21-16)27(25,26)24-14-10-20(11-15-24,23-12-6-7-13-23)18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,21,22)
InChIKeyKEYOZTMRWKMJMM-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.80
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 110637959) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine
PubChem CID110637959
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C20H28N4O2S/c1-16-19(17(2)22-21-16)27(25,26)24-14-10-20(11-15-24,23-12-6-7-13-23)18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,21,22)
InChIKeyKEYOZTMRWKMJMM-UHFFFAOYSA-N
XLogP2.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
CID 110637952
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1-phenylethanone
CID 110366309
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805343
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110328653
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine (CID 110637959) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is KEYOZTMRWKMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-16-19(17(2)22-21-16)27(25,26)24-14-10-20(11-15-24,23-12-6-7-13-23)18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,21,22).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 388.54 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 110637959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).