1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine

C14H24N4O2S — CID 63256596

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-4-3-7-13(18)12-6-5-8-15-12/h12-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyGWBOZFOSVLZIGE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.32
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256596) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256596
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-4-3-7-13(18)12-6-5-8-15-12/h12-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyGWBOZFOSVLZIGE-UHFFFAOYSA-N
XLogP1.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79539460
(4aS,7aS)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681096
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680713
N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79541168
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 63765626
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
CID 120725679
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119998506
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256423

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine (CID 63256596) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is GWBOZFOSVLZIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-4-3-7-13(18)12-6-5-8-15-12/h12-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 312.44 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 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]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).