1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine

C14H16F3N3O2S2 — CID 2820353

IUPAC1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
SMILESCn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S2/c1-19-12(14(15,16)17)9-10(18-19)11-5-6-13(23-11)24(21,22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBALQZCDRNVKJPQ-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.34
Rot. Bonds3

About 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine (PubChem CID 2820353) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
PubChem CID2820353
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
SMILESCn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S2/c1-19-12(14(15,16)17)9-10(18-19)11-5-6-13(23-11)24(21,22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBALQZCDRNVKJPQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'2-acetyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonohydrazide
CID 541020
5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
ethyl 1-({5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl}sulfonyl)-4-piperidinecarboxylate
CID 2813580
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
4-[5-(5-Methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315630
4-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 2799866
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
[3-[[5-[1,5-Bis(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940002
1-Methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 2820328
4-Bromo-3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
CID 2820450
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 57750936
5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
CID 2775673

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine (CID 2820353) is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The canonical SMILES for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine is Cn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The InChIKey is BALQZCDRNVKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c1-19-12(14(15,16)17)9-10(18-19)11-5-6-13(23-11)24(21,22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine has a molecular weight of 379.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine is sourced from PubChem (CID 2820353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).