4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine

C14H24FN3O — CID 176693083

IUPAC4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1ncc(F)c1C1CCN(C(C)C)CC1
InChIInChI=1S/C14H24FN3O/c1-11(2)17-6-4-12(5-7-17)14-13(15)10-16-18(14)8-9-19-3/h10-12H,4-9H2,1-3H3
InChIKeyCEVDAUCHBAMGHR-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.26
Rot. Bonds5

About 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine

4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine (PubChem CID 176693083) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine
PubChem CID176693083
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1ncc(F)c1C1CCN(C(C)C)CC1
InChIInChI=1S/C14H24FN3O/c1-11(2)17-6-4-12(5-7-17)14-13(15)10-16-18(14)8-9-19-3/h10-12H,4-9H2,1-3H3
InChIKeyCEVDAUCHBAMGHR-UHFFFAOYSA-N
XLogP2.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine (CID 176693083) is 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine is COCCn1ncc(F)c1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine?
The InChIKey is CEVDAUCHBAMGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-11(2)17-6-4-12(5-7-17)14-13(15)10-16-18(14)8-9-19-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine?
4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine has a molecular weight of 269.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 176693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).