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

C21H22FN5O2 — CID 95823174

IUPAC(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H22FN5O2/c1-2-27-14-9-18(25-27)21(28)26-12-7-15(8-13-26)19-20(24-11-10-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-11,14-15H,2,7-8,12-13H2,1H3
InChIKeyLZYZXHNCHXFNRJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.64
Rot. Bonds5

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

(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95823174) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95823174
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H22FN5O2/c1-2-27-14-9-18(25-27)21(28)26-12-7-15(8-13-26)19-20(24-11-10-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-11,14-15H,2,7-8,12-13H2,1H3
InChIKeyLZYZXHNCHXFNRJ-UHFFFAOYSA-N
XLogP3.64
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95823174) is (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is LZYZXHNCHXFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-2-27-14-9-18(25-27)21(28)26-12-7-15(8-13-26)19-20(24-11-10-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-11,14-15H,2,7-8,12-13H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95823174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).