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

C11H17ClFN3 — CID 112563263

IUPAC4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCNCC2)c1Cl
InChIInChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)7-11(13)3-5-14-6-4-11/h14H,3-7H2,1-2H3
InChIKeyVRSXBWJSDSMWTO-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.02
Rot. Bonds2

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

4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine (PubChem CID 112563263) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine
PubChem CID112563263
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCNCC2)c1Cl
InChIInChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)7-11(13)3-5-14-6-4-11/h14H,3-7H2,1-2H3
InChIKeyVRSXBWJSDSMWTO-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine (CID 112563263) is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine is Cc1nn(C)c(CC2(F)CCNCC2)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The InChIKey is VRSXBWJSDSMWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)7-11(13)3-5-14-6-4-11/h14H,3-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine has a molecular weight of 245.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 112563263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).