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

C14H24N4O2S — CID 60979617

IUPAC4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-3-4-13(18)12-5-7-15-8-6-12/h12-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCMTACUOWRMWDLU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.18
Rot. Bonds3

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

4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine (PubChem CID 60979617) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
PubChem CID60979617
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-3-4-13(18)12-5-7-15-8-6-12/h12-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCMTACUOWRMWDLU-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680713
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79539460
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
CID 63256596
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 63765626
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119998506
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 60960077
(2R,3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105053
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 120716901
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403670
(3R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-1,4-diazepan-2-one
CID 146133521

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine (CID 60979617) is 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine?
The InChIKey is CMTACUOWRMWDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10-14(11(2)17-16-10)21(19,20)18-9-3-4-13(18)12-5-7-15-8-6-12/h12-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine?
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine has a molecular weight of 312.44 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 60979617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).