4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine

C12H19ClFN3 — CID 114667704

IUPAC4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
SMILESCC(C)n1ncc(Cl)c1C(F)C1CCNCC1
InChIInChI=1S/C12H19ClFN3/c1-8(2)17-12(10(13)7-16-17)11(14)9-3-5-15-6-4-9/h7-9,11,15H,3-6H2,1-2H3
InChIKeyNHWVIKJEIJGKIF-UHFFFAOYSA-N
MW259.76 g/mol
LogP3.13
Rot. Bonds3

About 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine

4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine (PubChem CID 114667704) has the molecular formula C12H19ClFN3 and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
PubChem CID114667704
Molecular FormulaC12H19ClFN3
Molecular Weight259.76 g/mol
Exact Mass259.13
IUPAC Name4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
SMILESCC(C)n1ncc(Cl)c1C(F)C1CCNCC1
InChIInChI=1S/C12H19ClFN3/c1-8(2)17-12(10(13)7-16-17)11(14)9-3-5-15-6-4-9/h7-9,11,15H,3-6H2,1-2H3
InChIKeyNHWVIKJEIJGKIF-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667700
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
CID 83840007
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine (CID 114667704) is 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine is CC(C)n1ncc(Cl)c1C(F)C1CCNCC1.
What is the InChIKey of 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine?
The InChIKey is NHWVIKJEIJGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClFN3/c1-8(2)17-12(10(13)7-16-17)11(14)9-3-5-15-6-4-9/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine?
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine has a molecular weight of 259.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine is sourced from PubChem (CID 114667704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).