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

C14H20BrF2N3 — CID 118227214

IUPAC1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2CCCC(n3cc(Br)cn3)C2)C1
InChIInChI=1S/C14H20BrF2N3/c15-11-8-18-20(9-11)13-4-1-3-12(7-13)19-6-2-5-14(16,17)10-19/h8-9,12-13H,1-7,10H2
InChIKeyQWGQJIRTWXGYNY-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.86
Rot. Bonds2

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

1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine (PubChem CID 118227214) 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]-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine
PubChem CID118227214
Molecular FormulaC14H20BrF2N3
Molecular Weight348.24 g/mol
Exact Mass347.08
IUPAC Name1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2CCCC(n3cc(Br)cn3)C2)C1
InChIInChI=1S/C14H20BrF2N3/c15-11-8-18-20(9-11)13-4-1-3-12(7-13)19-6-2-5-14(16,17)10-19/h8-9,12-13H,1-7,10H2
InChIKeyQWGQJIRTWXGYNY-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine?
The IUPAC name of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine (CID 118227214) is 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine.
What is the SMILES notation for 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine?
The canonical SMILES for 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine is FC1(F)CCCN(C2CCCC(n3cc(Br)cn3)C2)C1.
What is the InChIKey of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine?
The InChIKey is QWGQJIRTWXGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N3/c15-11-8-18-20(9-11)13-4-1-3-12(7-13)19-6-2-5-14(16,17)10-19/h8-9,12-13H,1-7,10H2.
What are the key properties of 1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine?
1-[3-(4-bromopyrazol-1-yl)cyclohexyl]-3,3-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]-3,3-difluoropiperidine is sourced from PubChem (CID 118227214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).