4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine

C13H21ClFN3 — CID 112563681

IUPAC4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCn1nc(C)c(Cl)c1CC(F)C1CCNCC1
InChIInChI=1S/C13H21ClFN3/c1-3-18-12(13(14)9(2)17-18)8-11(15)10-4-6-16-7-5-10/h10-11,16H,3-8H2,1-2H3
InChIKeyXIHUEVLMXLTOSU-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.75
Rot. Bonds4

About 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine

4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine (PubChem CID 112563681) has the molecular formula C13H21ClFN3 and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
PubChem CID112563681
Molecular FormulaC13H21ClFN3
Molecular Weight273.78 g/mol
Exact Mass273.14
IUPAC Name4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCn1nc(C)c(Cl)c1CC(F)C1CCNCC1
InChIInChI=1S/C13H21ClFN3/c1-3-18-12(13(14)9(2)17-18)8-11(15)10-4-6-16-7-5-10/h10-11,16H,3-8H2,1-2H3
InChIKeyXIHUEVLMXLTOSU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 54592619
5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71756122
4-Chloro-1-(cyclohexylmethyl)-3-methyl-5-(trifluoromethyl)pyrazole
CID 68264927
4-Chloro-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 69928360
4-Chloro-1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 117670160
4-Chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane
CID 142843311
4-Chloro-3-methyl-1-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)pyrazole
CID 144230234
4-Chloro-1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 145003213
4-Chloro-5-fluoro-1-methyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146377874
4-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl}piperidine
CID 169691738
4-[[5-(1,1-Difluorobut-3-enyl)-1-methylpyrazol-3-yl]methyl]piperidine
CID 169691773
4-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
CID 174285713

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine (CID 112563681) is 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine is CCn1nc(C)c(Cl)c1CC(F)C1CCNCC1.
What is the InChIKey of 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The InChIKey is XIHUEVLMXLTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClFN3/c1-3-18-12(13(14)9(2)17-18)8-11(15)10-4-6-16-7-5-10/h10-11,16H,3-8H2,1-2H3.
What are the key properties of 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine has a molecular weight of 273.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).