1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine

C14H20BrF2N3 — CID 118227191

IUPAC1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(C2CCCC(n3cc(Br)cn3)C2)CC1
InChIInChI=1S/C14H20BrF2N3/c15-11-9-18-20(10-11)13-3-1-2-12(8-13)19-6-4-14(16,17)5-7-19/h9-10,12-13H,1-8H2
InChIKeyGHSVPIYAKLIUPF-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.86
Rot. Bonds2

About 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine

1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine (PubChem CID 118227191) has the molecular formula C14H20BrF2N3 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine
PubChem CID118227191
Molecular FormulaC14H20BrF2N3
Molecular Weight348.24 g/mol
Exact Mass347.08
IUPAC Name1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(C2CCCC(n3cc(Br)cn3)C2)CC1
InChIInChI=1S/C14H20BrF2N3/c15-11-9-18-20(10-11)13-3-1-2-12(8-13)19-6-4-14(16,17)5-7-19/h9-10,12-13H,1-8H2
InChIKeyGHSVPIYAKLIUPF-UHFFFAOYSA-N
XLogP3.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclohexyl-1H-pyrazole
CID 57416971
1-Tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 71225785
4-Bromo-1-(3,3-difluorocyclopentyl)-1H-pyrazole
CID 84737722
4-Bromo-1-(4,4-difluorocyclohexyl)pyrazole
CID 84738478
4-(4-Bromopyrazol-1-yl)-3-fluoropiperidine
CID 89924299
4-(4-Bromo-1H-pyrazol-1-YL)-3,3-difluoropiperidine
CID 89924468
4-(4-Iodo-pyrazol-1-yl)-1-(2,2,2-trifluoro-ethyl)-piperidine
CID 90288331
1-[3-(4-Bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine
CID 118227214
4-(4-Methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 131991141
1-Propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 138667286
1-Methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 138667287
4-(4-Bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine
CID 139431442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine (CID 118227191) is 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine is FC1(F)CCN(C2CCCC(n3cc(Br)cn3)C2)CC1.
What is the InChIKey of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine?
The InChIKey is GHSVPIYAKLIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N3/c15-11-9-18-20(10-11)13-3-1-2-12(8-13)19-6-4-14(16,17)5-7-19/h9-10,12-13H,1-8H2.
What are the key properties of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine?
1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine has a molecular weight of 348.24 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine is sourced from PubChem (CID 118227191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).