4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine

C12H20N4O2S — CID 54885468

IUPAC4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H20N4O2S/c17-19(18,11-8-14-15-9-11)16-7-1-2-12(16)10-3-5-13-6-4-10/h8-10,12-13H,1-7H2,(H,14,15)
InChIKeyFBSAFPKPKDPTAP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.56
Rot. Bonds3

About 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine

4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 54885468) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID54885468
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H20N4O2S/c17-19(18,11-8-14-15-9-11)16-7-1-2-12(16)10-3-5-13-6-4-10/h8-10,12-13H,1-7H2,(H,14,15)
InChIKeyFBSAFPKPKDPTAP-UHFFFAOYSA-N
XLogP0.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine (CID 54885468) is 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine is O=S(=O)(c1cn[nH]c1)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is FBSAFPKPKDPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c17-19(18,11-8-14-15-9-11)16-7-1-2-12(16)10-3-5-13-6-4-10/h8-10,12-13H,1-7H2,(H,14,15).
What are the key properties of 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine?
4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 284.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 54885468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).