1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

C22H22FN3O — CID 67107006

IUPAC1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)22-20(16-10-12-24-13-11-16)14-26(25-22)15-21(27)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2
InChIKeyWIERVWDVCFHQQD-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.90
Rot. Bonds5

About 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (PubChem CID 67107006) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
PubChem CID67107006
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)22-20(16-10-12-24-13-11-16)14-26(25-22)15-21(27)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2
InChIKeyWIERVWDVCFHQQD-UHFFFAOYSA-N
XLogP4.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (CID 67107006) is 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is O=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The InChIKey is WIERVWDVCFHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)22-20(16-10-12-24-13-11-16)14-26(25-22)15-21(27)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2.
What are the key properties of 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 67107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).