1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C17H20FN3O2S — CID 53185308

IUPAC1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(C1CC1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C17H20FN3O2S/c18-14-5-3-12(4-6-14)16-10-17(20-19-16)13-2-1-9-21(11-13)24(22,23)15-7-8-15/h3-6,10,13,15H,1-2,7-9,11H2,(H,19,20)
InChIKeyZATGMNUGLURYDX-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.89
Rot. Bonds4

About 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 53185308) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID53185308
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(C1CC1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C17H20FN3O2S/c18-14-5-3-12(4-6-14)16-10-17(20-19-16)13-2-1-9-21(11-13)24(22,23)15-7-8-15/h3-6,10,13,15H,1-2,7-9,11H2,(H,19,20)
InChIKeyZATGMNUGLURYDX-UHFFFAOYSA-N
XLogP2.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 53185308) is 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is O=S(=O)(C1CC1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is ZATGMNUGLURYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-14-5-3-12(4-6-14)16-10-17(20-19-16)13-2-1-9-21(11-13)24(22,23)15-7-8-15/h3-6,10,13,15H,1-2,7-9,11H2,(H,19,20).
What are the key properties of 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 349.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 53185308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).