1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine

C10H14F3N3O2S — CID 61274482

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S/c1-7-9(5-14-15-7)19(17,18)16-4-2-3-8(6-16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyQBXRTHBINIKNNM-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.68
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine (PubChem CID 61274482) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
PubChem CID61274482
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S/c1-7-9(5-14-15-7)19(17,18)16-4-2-3-8(6-16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyQBXRTHBINIKNNM-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine (CID 61274482) is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine is Cc1[nH]ncc1S(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The InChIKey is QBXRTHBINIKNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-7-9(5-14-15-7)19(17,18)16-4-2-3-8(6-16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine has a molecular weight of 297.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 61274482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).