(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C19H24FN3O2 — CID 53150803

IUPAC(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2/c1-2-23-18(7-11-21-23)19(24)22-12-8-15(9-13-22)10-14-25-17-5-3-16(20)4-6-17/h3-7,11,15H,2,8-10,12-14H2,1H3
InChIKeyLVBOJQOJQLGMBT-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53150803) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53150803
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2/c1-2-23-18(7-11-21-23)19(24)22-12-8-15(9-13-22)10-14-25-17-5-3-16(20)4-6-17/h3-7,11,15H,2,8-10,12-14H2,1H3
InChIKeyLVBOJQOJQLGMBT-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53150803) is (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is LVBOJQOJQLGMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-23-18(7-11-21-23)19(24)22-12-8-15(9-13-22)10-14-25-17-5-3-16(20)4-6-17/h3-7,11,15H,2,8-10,12-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).