4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

C16H18F3N3O3S — CID 71781201

IUPAC4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H18F3N3O3S/c17-16(18,19)25-14-2-4-15(5-3-14)26(23,24)22-10-6-13(7-11-22)12-21-9-1-8-20-21/h1-5,8-9,13H,6-7,10-12H2
InChIKeyBNOQECAIOXLYLJ-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.88
Rot. Bonds5

About 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (PubChem CID 71781201) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
PubChem CID71781201
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H18F3N3O3S/c17-16(18,19)25-14-2-4-15(5-3-14)26(23,24)22-10-6-13(7-11-22)12-21-9-1-8-20-21/h1-5,8-9,13H,6-7,10-12H2
InChIKeyBNOQECAIOXLYLJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 24791849
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-4-methoxybenzenesulfonamide
CID 24793239
4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1-((5-fluoro-2-methoxyphenyl)sulfonyl)piperidine
CID 71781251
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazine
CID 71783851
N-((1-methyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71797542
1-(1,3-Benzodioxol-5-ylsulfonyl)-4-(pyrazol-1-ylmethyl)piperidine
CID 145988370
1-[(4-methoxyphenyl)sulfonyl]-4-[1-(4-methylphenyl)-1H-pyrazol-4-yl]piperidine
CID 53149323
4-((1H-pyrazol-1-yl)methyl)-1-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)piperidine
CID 71781189
4-((1H-pyrazol-1-yl)methyl)-1-((4-methoxy-3-methylphenyl)sulfonyl)piperidine
CID 71781190
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((2-ethoxyphenyl)sulfonyl)piperazine
CID 71783852
1-[(4-methoxyphenyl)sulfonyl]-4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine
CID 71842265

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (CID 71781201) is 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The InChIKey is BNOQECAIOXLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c17-16(18,19)25-14-2-4-15(5-3-14)26(23,24)22-10-6-13(7-11-22)12-21-9-1-8-20-21/h1-5,8-9,13H,6-7,10-12H2.
What are the key properties of 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine has a molecular weight of 389.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 71781201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).