1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C20H20FN5O — CID 91065681

IUPAC1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C20H20FN5O/c1-13(27)26-10-7-15(8-11-26)20-18(17-6-9-22-12-23-17)19(24-25-20)14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyVBBRJHIYMMKJQE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.40
Rot. Bonds3

About 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 91065681) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID91065681
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C20H20FN5O/c1-13(27)26-10-7-15(8-11-26)20-18(17-6-9-22-12-23-17)19(24-25-20)14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyVBBRJHIYMMKJQE-UHFFFAOYSA-N
XLogP3.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 46884779
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10318523
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 22037518
1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10071437
[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 10322807
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 68780763
(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 91213482
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
CID 22973174
1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 164822235
bis(4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine);(E)-but-2-enedioic acid;4-[3-(4-chlorophenyl)-5-(1-propylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine
CID 159224657

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 91065681) is 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is VBBRJHIYMMKJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13(27)26-10-7-15(8-11-26)20-18(17-6-9-22-12-23-17)19(24-25-20)14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,24,25).
What are the key properties of 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 365.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91065681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).