1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one

C18H22FN3O — CID 83273287

IUPAC1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C18H22FN3O/c1-2-3-18(23)21-10-8-14(9-11-21)15-12-20-22(13-15)17-6-4-16(19)5-7-17/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyZGUWYOOELCVJCQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.52
Rot. Bonds4

About 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one

1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one (PubChem CID 83273287) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one
PubChem CID83273287
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C18H22FN3O/c1-2-3-18(23)21-10-8-14(9-11-21)15-12-20-22(13-15)17-6-4-16(19)5-7-17/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyZGUWYOOELCVJCQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one (CID 83273287) is 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one?
The InChIKey is ZGUWYOOELCVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-3-18(23)21-10-8-14(9-11-21)15-12-20-22(13-15)17-6-4-16(19)5-7-17/h4-7,12-14H,2-3,8-11H2,1H3.
What are the key properties of 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one?
1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one has a molecular weight of 315.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83273287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).