1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid

C17H20FN3O2 — CID 122121233

IUPAC1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H20FN3O2/c1-12-8-13(17(22)23)10-20(9-12)11-15-6-7-21(19-15)16-4-2-14(18)3-5-16/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyKINCMVYICWRFKO-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.55
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121233) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121233
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H20FN3O2/c1-12-8-13(17(22)23)10-20(9-12)11-15-6-7-21(19-15)16-4-2-14(18)3-5-16/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyKINCMVYICWRFKO-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid (CID 122121233) is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KINCMVYICWRFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-8-13(17(22)23)10-20(9-12)11-15-6-7-21(19-15)16-4-2-14(18)3-5-16/h2-7,12-13H,8-11H2,1H3,(H,22,23).
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 317.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).