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

C19H24FN3O — CID 45251125

IUPAC(1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-10-4-6-16(13-22)9-8-15-5-3-7-18(20)11-15/h3,5,7,11-12,14,16H,2,4,6,8-10,13H2,1H3
InChIKeyMFRWJTPFCRLTHE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.53
Rot. Bonds5

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

(1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 45251125) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID45251125
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-10-4-6-16(13-22)9-8-15-5-3-7-18(20)11-15/h3,5,7,11-12,14,16H,2,4,6,8-10,13H2,1H3
InChIKeyMFRWJTPFCRLTHE-UHFFFAOYSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 45251125) is (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(CCc3cccc(F)c3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is MFRWJTPFCRLTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-10-4-6-16(13-22)9-8-15-5-3-7-18(20)11-15/h3,5,7,11-12,14,16H,2,4,6,8-10,13H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45251125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).