1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine

C17H21F2N3O2S — CID 133300717

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine
SMILESCCn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1
InChIInChI=1S/C17H21F2N3O2S/c1-2-22-12-14(11-20-22)13-7-9-21(10-8-13)15-5-3-4-6-16(15)25(23,24)17(18)19/h3-6,11-13,17H,2,7-10H2,1H3
InChIKeySLKXCJNXHUALFY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine

1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine (PubChem CID 133300717) has the molecular formula C17H21F2N3O2S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine
PubChem CID133300717
Molecular FormulaC17H21F2N3O2S
Molecular Weight369.44 g/mol
Exact Mass369.13
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine
SMILESCCn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1
InChIInChI=1S/C17H21F2N3O2S/c1-2-22-12-14(11-20-22)13-7-9-21(10-8-13)15-5-3-4-6-16(15)25(23,24)17(18)19/h3-6,11-13,17H,2,7-10H2,1H3
InChIKeySLKXCJNXHUALFY-UHFFFAOYSA-N
XLogP3.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine (CID 133300717) is 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine is CCn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine?
The InChIKey is SLKXCJNXHUALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2S/c1-2-22-12-14(11-20-22)13-7-9-21(10-8-13)15-5-3-4-6-16(15)25(23,24)17(18)19/h3-6,11-13,17H,2,7-10H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine?
1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine has a molecular weight of 369.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-ethylpyrazol-4-yl)piperidine is sourced from PubChem (CID 133300717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).