3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine

C11H17BrFN3 — CID 112562825

IUPAC3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCCNC2)c1Br
InChIInChI=1S/C11H17BrFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyGFFMOHMCYCMCGQ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.13
Rot. Bonds2

About 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine

3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine (PubChem CID 112562825) has the molecular formula C11H17BrFN3 and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
PubChem CID112562825
Molecular FormulaC11H17BrFN3
Molecular Weight290.18 g/mol
Exact Mass289.06
IUPAC Name3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCCNC2)c1Br
InChIInChI=1S/C11H17BrFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyGFFMOHMCYCMCGQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-5-cyano-2-propylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
CID 67157408
4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
CID 67157869
4-[(4-bromo-5-cyano-2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
CID 67157966
4-Bromo-5-[(4-fluoropiperidin-4-yl)methyl]-1-propylpyrazole-3-carbonitrile
CID 67158131
4-Bromo-5-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrazole-3-carbonitrile
CID 67158192
4-Bromo-5-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-ethylpyrazole-3-carbonitrile
CID 69348096
4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-1,3,5-trimethylpyrazole
CID 69932273
4-[(4-Fluoropyrrolidin-2-yl)methyl]-1,3,5-trimethylpyrazole
CID 77746014
4-Bromo-5-[(1-fluoropiperidin-4-yl)methyl]-1-propylpyrazole-3-carbonitrile
CID 140121751
4-Bromo-1-methyl-3-octan-2-yl-5-(trifluoromethyl)pyrazole
CID 146201015
4-Bromo-5-fluoro-1-methyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146377908
4-Bromo-1-(2,2-difluoroethyl)-3-methyl-5-propan-2-ylpyrazole
CID 155301253

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine (CID 112562825) is 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine is Cc1nn(C)c(CC2(F)CCCNC2)c1Br.
What is the InChIKey of 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The InChIKey is GFFMOHMCYCMCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3.
What are the key properties of 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine has a molecular weight of 290.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 112562825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).