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

C25H24FN3 — CID 1482157

IUPAC1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CN2CCC(c3cc(-c4cccc5ccccc45)n[nH]3)CC2)cc1
InChIInChI=1S/C25H24FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,16,20H,12-15,17H2,(H,27,28)
InChIKeyMBNLQXNNAXUKFU-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.75
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 1482157) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
PubChem CID1482157
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CN2CCC(c3cc(-c4cccc5ccccc45)n[nH]3)CC2)cc1
InChIInChI=1S/C25H24FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,16,20H,12-15,17H2,(H,27,28)
InChIKeyMBNLQXNNAXUKFU-UHFFFAOYSA-N
XLogP5.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
CID 132282552
4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 1482150
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
1-Benzyl-4-(5-benzyl-1H-pyrazol-3-yl)-piperidine
CID 10687967
1-Benzyl-4-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 44459463
3-methyl-5-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)aniline
CID 46886395
4-[1-Hydroxy-3-(naphthalen-2-ylmethyl)-5-phenylpyrazol-4-yl]piperidine;hydrobromide
CID 49860113
4-[5-(1-naphthyl)-1H-pyrazol-3-yl]piperidine
CID 1482145
3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 716749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (CID 1482157) is 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is Fc1ccc(CN2CCC(c3cc(-c4cccc5ccccc45)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is MBNLQXNNAXUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,16,20H,12-15,17H2,(H,27,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 385.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 1482157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).