(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C10H14F3N3O2S — CID 95840786

IUPAC(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCS(=O)(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyVSEFQSRZRCTZCR-ZETCQYMHSA-N
MW297.30 g/mol
LogP1.57
Rot. Bonds2

About (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 95840786) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID95840786
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCS(=O)(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyVSEFQSRZRCTZCR-ZETCQYMHSA-N
XLogP1.57
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 95840786) is (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is CS(=O)(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is VSEFQSRZRCTZCR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-19(17,18)16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 297.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 95840786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).