1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine

C20H24FN5 — CID 70710291

IUPAC1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine
SMILESFc1cccc(-n2cc(CN3CCCCC3CCn3ccnc3)cn2)c1
InChIInChI=1S/C20H24FN5/c21-18-4-3-6-20(12-18)26-15-17(13-23-26)14-25-9-2-1-5-19(25)7-10-24-11-8-22-16-24/h3-4,6,8,11-13,15-16,19H,1-2,5,7,9-10,14H2
InChIKeyYRPYMLSXGIQGPN-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.65
Rot. Bonds6

About 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine

1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine (PubChem CID 70710291) has the molecular formula C20H24FN5 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine
PubChem CID70710291
Molecular FormulaC20H24FN5
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine
SMILESFc1cccc(-n2cc(CN3CCCCC3CCn3ccnc3)cn2)c1
InChIInChI=1S/C20H24FN5/c21-18-4-3-6-20(12-18)26-15-17(13-23-26)14-25-9-2-1-5-19(25)7-10-24-11-8-22-16-24/h3-4,6,8,11-13,15-16,19H,1-2,5,7,9-10,14H2
InChIKeyYRPYMLSXGIQGPN-UHFFFAOYSA-N
XLogP3.65
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine?
The IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine (CID 70710291) is 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine?
The canonical SMILES for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine is Fc1cccc(-n2cc(CN3CCCCC3CCn3ccnc3)cn2)c1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine?
The InChIKey is YRPYMLSXGIQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c21-18-4-3-6-20(12-18)26-15-17(13-23-26)14-25-9-2-1-5-19(25)7-10-24-11-8-22-16-24/h3-4,6,8,11-13,15-16,19H,1-2,5,7,9-10,14H2.
What are the key properties of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine?
1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine has a molecular weight of 353.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-imidazol-1-ylethyl)piperidine is sourced from PubChem (CID 70710291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).