4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine

C10H15ClFN3 — CID 114667700

IUPAC4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
SMILESCn1ncc(Cl)c1C(F)C1CCNCC1
InChIInChI=1S/C10H15ClFN3/c1-15-10(8(11)6-14-15)9(12)7-2-4-13-5-3-7/h6-7,9,13H,2-5H2,1H3
InChIKeyXQJWBOLKJRUQFC-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.08
Rot. Bonds2

About 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine

4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine (PubChem CID 114667700) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
PubChem CID114667700
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
SMILESCn1ncc(Cl)c1C(F)C1CCNCC1
InChIInChI=1S/C10H15ClFN3/c1-15-10(8(11)6-14-15)9(12)7-2-4-13-5-3-7/h6-7,9,13H,2-5H2,1H3
InChIKeyXQJWBOLKJRUQFC-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667704
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
CID 114654805
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
5-[fluoro(piperidin-4-yl)methyl]pyrimidine
CID 112563760
(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
CID 70892352

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine (CID 114667700) is 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine is Cn1ncc(Cl)c1C(F)C1CCNCC1.
What is the InChIKey of 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine?
The InChIKey is XQJWBOLKJRUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-15-10(8(11)6-14-15)9(12)7-2-4-13-5-3-7/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine?
4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine has a molecular weight of 231.70 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine is sourced from PubChem (CID 114667700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).