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

C17H20FN3O2S — CID 71836802

IUPAC1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(C1CC1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C17H20FN3O2S/c18-14-3-1-12(2-4-14)16-11-17(20-19-16)13-7-9-21(10-8-13)24(22,23)15-5-6-15/h1-4,11,13,15H,5-10H2,(H,19,20)
InChIKeyPGVIDNNPAOURSL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.89
Rot. Bonds4

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

1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 71836802) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID71836802
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(C1CC1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C17H20FN3O2S/c18-14-3-1-12(2-4-14)16-11-17(20-19-16)13-7-9-21(10-8-13)24(22,23)15-5-6-15/h1-4,11,13,15H,5-10H2,(H,19,20)
InChIKeyPGVIDNNPAOURSL-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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Related Compounds

(E)-2-[(8R)-8-[(3-fluorophenyl)methyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl]-N-[(1S)-1-phenylethyl]ethenesulfonamide
CID 25070947
3-(4-Fluorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185497
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490820
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
4-(3-phenyl-1H-pyrazol-5-yl)piperidine
CID 66490949
4-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 84195208
4-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 84195209
4-[3-(3,5-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 176376033
4-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 176376048
2-(2,6-Difluorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile
CID 86580541
4-((2,4-Difluorophenyl)fluoromethylene)-1-(3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580868
4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-methyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86582812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 71836802) is 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is O=S(=O)(C1CC1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is PGVIDNNPAOURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-14-3-1-12(2-4-14)16-11-17(20-19-16)13-7-9-21(10-8-13)24(22,23)15-5-6-15/h1-4,11,13,15H,5-10H2,(H,19,20).
What are the key properties of 1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-cyclopropylsulfonyl-4-[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-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 71836802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).