4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine

C18H24FN3 — CID 18187705

IUPAC4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
SMILESCCCn1nc(Cc2ccc(F)cc2)cc1C1CCNCC1
InChIInChI=1S/C18H24FN3/c1-2-11-22-18(15-7-9-20-10-8-15)13-17(21-22)12-14-3-5-16(19)6-4-14/h3-6,13,15,20H,2,7-12H2,1H3
InChIKeyGKXHSOOQDILMCV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.49
Rot. Bonds5

About 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine

4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine (PubChem CID 18187705) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
PubChem CID18187705
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
SMILESCCCn1nc(Cc2ccc(F)cc2)cc1C1CCNCC1
InChIInChI=1S/C18H24FN3/c1-2-11-22-18(15-7-9-20-10-8-15)13-17(21-22)12-14-3-5-16(19)6-4-14/h3-6,13,15,20H,2,7-12H2,1H3
InChIKeyGKXHSOOQDILMCV-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine 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 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine (CID 18187705) is 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine is CCCn1nc(Cc2ccc(F)cc2)cc1C1CCNCC1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine?
The InChIKey is GKXHSOOQDILMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-2-11-22-18(15-7-9-20-10-8-15)13-17(21-22)12-14-3-5-16(19)6-4-14/h3-6,13,15,20H,2,7-12H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine?
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine has a molecular weight of 301.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine is sourced from PubChem (CID 18187705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).