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

C22H28FN3O — CID 138707899

IUPAC4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C22H28FN3O/c23-18-4-6-20(7-5-18)26-14-21(22(24-26)17-2-1-3-17)27-15-16-10-12-25(13-11-16)19-8-9-19/h4-7,14,16-17,19H,1-3,8-13,15H2
InChIKeyUZRAAPWVEUOAFN-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.53
Rot. Bonds6

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

4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine (PubChem CID 138707899) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine.

Molecular Properties

Compound Name4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine
PubChem CID138707899
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C22H28FN3O/c23-18-4-6-20(7-5-18)26-14-21(22(24-26)17-2-1-3-17)27-15-16-10-12-25(13-11-16)19-8-9-19/h4-7,14,16-17,19H,1-3,8-13,15H2
InChIKeyUZRAAPWVEUOAFN-UHFFFAOYSA-N
XLogP4.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.53
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-cyclopropylpiperidine?
The IUPAC name of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine (CID 138707899) is 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine.
What is the SMILES notation for 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine?
The canonical SMILES for 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine is Fc1ccc(-n2cc(OCC3CCN(C4CC4)CC3)c(C3CCC3)n2)cc1.
What is the InChIKey of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine?
The InChIKey is UZRAAPWVEUOAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c23-18-4-6-20(7-5-18)26-14-21(22(24-26)17-2-1-3-17)27-15-16-10-12-25(13-11-16)19-8-9-19/h4-7,14,16-17,19H,1-3,8-13,15H2.
What are the key properties of 4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine?
4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine has a molecular weight of 369.48 g/mol, XLogP of 4.53, 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-cyclopropylpiperidine is sourced from PubChem (CID 138707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).