1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

C25H24FN3 — CID 1485690

IUPAC1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESFc1ccccc1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H24FN3/c26-23-11-4-2-7-20(23)17-29-14-12-19(13-15-29)24-16-25(28-27-24)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16,19H,12-15,17H2,(H,27,28)
InChIKeyHCTJWVRBOHMTDG-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.75
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 1485690) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
PubChem CID1485690
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESFc1ccccc1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H24FN3/c26-23-11-4-2-7-20(23)17-29-14-12-19(13-15-29)24-16-25(28-27-24)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16,19H,12-15,17H2,(H,27,28)
InChIKeyHCTJWVRBOHMTDG-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

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CID 10687967
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CID 44459463
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CID 46886395
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CID 49860113
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CID 1482145
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CID 716749
CID 716749

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (CID 1485690) is 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is Fc1ccccc1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is HCTJWVRBOHMTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3/c26-23-11-4-2-7-20(23)17-29-14-12-19(13-15-29)24-16-25(28-27-24)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16,19H,12-15,17H2,(H,27,28).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
1-[(2-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-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 1485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).