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

C21H22FN5O2 — CID 110256639

IUPAC(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3nccnc3Oc3ccccc3F)C2)n1
InChIInChI=1S/C21H22FN5O2/c1-2-27-13-9-17(25-27)21(28)26-12-5-6-15(14-26)19-20(24-11-10-23-19)29-18-8-4-3-7-16(18)22/h3-4,7-11,13,15H,2,5-6,12,14H2,1H3
InChIKeyXBRAMAIOSBNIHE-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.64
Rot. Bonds5

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

(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110256639) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID110256639
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3nccnc3Oc3ccccc3F)C2)n1
InChIInChI=1S/C21H22FN5O2/c1-2-27-13-9-17(25-27)21(28)26-12-5-6-15(14-26)19-20(24-11-10-23-19)29-18-8-4-3-7-16(18)22/h3-4,7-11,13,15H,2,5-6,12,14H2,1H3
InChIKeyXBRAMAIOSBNIHE-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

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Related Compounds

(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823308
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
CID 110256586

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110256639) is (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(c3nccnc3Oc3ccccc3F)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is XBRAMAIOSBNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-2-27-13-9-17(25-27)21(28)26-12-5-6-15(14-26)19-20(24-11-10-23-19)29-18-8-4-3-7-16(18)22/h3-4,7-11,13,15H,2,5-6,12,14H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[3-(2-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)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110256639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).