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

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Related Compounds

4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
CID 18187520
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
CID 18187707
[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174497445
4-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyridine
CID 95844382
4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;4-[3-[(3,4-dichlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;3-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile
CID 158687306
4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine
CID 18187663
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
CID 92624506
2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
CID 150485482

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).