N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

C16H22N4O2S — CID 53185293

IUPACN,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-6-9-14(12-20)16-11-15(17-18-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyZFPJHQUKOGJMMI-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.06
Rot. Bonds4

About N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (PubChem CID 53185293) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
PubChem CID53185293
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-6-9-14(12-20)16-11-15(17-18-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyZFPJHQUKOGJMMI-UHFFFAOYSA-N
XLogP2.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3084338
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CID 10615437
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-methyl-piperidine
CID 10826290
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
3-(1-propylpiperidin-4-yl)-2H-indazole
CID 71463194
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
4-(4-Methyl-5-phenyl-1H-pyrazol-3-yl)-1-phenethyl-1,2,3,6-tetrahydro-pyridine
CID 10617366
1-Benzyl-4-(5-benzyl-1H-pyrazol-3-yl)-piperidine
CID 10687967
1-Benzyl-4-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 44459463
1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine
CID 127048915
4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine
CID 1482138

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (CID 53185293) is N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is ZFPJHQUKOGJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-6-9-14(12-20)16-11-15(17-18-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 53185293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).