4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine

C25H34FN3O — CID 138707950

IUPAC4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CCCCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C25H34FN3O/c26-21-9-11-23(12-10-21)29-17-24(25(27-29)20-5-4-6-20)30-18-19-13-15-28(16-14-19)22-7-2-1-3-8-22/h9-12,17,19-20,22H,1-8,13-16,18H2
InChIKeyUAKHUENIVSFIFA-UHFFFAOYSA-N
MW411.57 g/mol
LogP5.70
Rot. Bonds6

About 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine

4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine (PubChem CID 138707950) has the molecular formula C25H34FN3O and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine.

Molecular Properties

Compound Name4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine
PubChem CID138707950
Molecular FormulaC25H34FN3O
Molecular Weight411.57 g/mol
Exact Mass411.27
IUPAC Name4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CCCCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C25H34FN3O/c26-21-9-11-23(12-10-21)29-17-24(25(27-29)20-5-4-6-20)30-18-19-13-15-28(16-14-19)22-7-2-1-3-8-22/h9-12,17,19-20,22H,1-8,13-16,18H2
InChIKeyUAKHUENIVSFIFA-UHFFFAOYSA-N
XLogP5.70
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine?
The IUPAC name of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine (CID 138707950) is 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine.
What is the SMILES notation for 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine?
The canonical SMILES for 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine is Fc1ccc(-n2cc(OCC3CCN(C4CCCCC4)CC3)c(C3CCC3)n2)cc1.
What is the InChIKey of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine?
The InChIKey is UAKHUENIVSFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O/c26-21-9-11-23(12-10-21)29-17-24(25(27-29)20-5-4-6-20)30-18-19-13-15-28(16-14-19)22-7-2-1-3-8-22/h9-12,17,19-20,22H,1-8,13-16,18H2.
What are the key properties of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine?
4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine has a molecular weight of 411.57 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine is sourced from PubChem (CID 138707950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).