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

C11H17ClFN3 — CID 141160121

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(F)CC1
InChIInChI=1S/C11H17ClFN3/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7H2,1-2H3
InChIKeyVVRCZTGNWOKLCG-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.32
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine (PubChem CID 141160121) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine
PubChem CID141160121
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(F)CC1
InChIInChI=1S/C11H17ClFN3/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7H2,1-2H3
InChIKeyVVRCZTGNWOKLCG-UHFFFAOYSA-N
XLogP2.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine (CID 141160121) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine is Cc1nn(C)c(Cl)c1CN1CCC(F)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine?
The InChIKey is VVRCZTGNWOKLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine has a molecular weight of 245.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 141160121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).