1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone

C17H20FN3O2 — CID 45220536

IUPAC1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2[nH]ncc2-c2ccccc2F)C1
InChIInChI=1S/C17H20FN3O2/c1-23-11-16(22)21-8-4-5-12(10-21)17-14(9-19-20-17)13-6-2-3-7-15(13)18/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,19,20)
InChIKeyVGZVLKXNWCWHGN-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.57
Rot. Bonds4

About 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone

1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 45220536) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID45220536
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2[nH]ncc2-c2ccccc2F)C1
InChIInChI=1S/C17H20FN3O2/c1-23-11-16(22)21-8-4-5-12(10-21)17-14(9-19-20-17)13-6-2-3-7-15(13)18/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,19,20)
InChIKeyVGZVLKXNWCWHGN-UHFFFAOYSA-N
XLogP2.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
[3-(4-Fluorophenyl)-2,2-dimethylcyclopropyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 145969671
4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}morpholine
CID 1487678
3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
CID 50948971
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51083539
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N~1~-(2-methoxyethyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185327
2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56704504
1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone
CID 56749718
(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56753036
(2R)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56754211
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 70708292
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 71836806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone (CID 45220536) is 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(c2[nH]ncc2-c2ccccc2F)C1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is VGZVLKXNWCWHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-11-16(22)21-8-4-5-12(10-21)17-14(9-19-20-17)13-6-2-3-7-15(13)18/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,19,20).
What are the key properties of 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone?
1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 317.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 45220536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).