1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C21H22FN3 — CID 42479344

IUPAC1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24)
InChIKeyVGYOLLSGSHOXGB-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.60
Rot. Bonds4

About 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 42479344) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID42479344
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24)
InChIKeyVGYOLLSGSHOXGB-UHFFFAOYSA-N
XLogP4.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 56750018
4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
2-methyl-4-[4-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 42483502

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 42479344) is 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is VGYOLLSGSHOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24).
What are the key properties of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 335.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 42479344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).