2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid

C21H21FN4O2 — CID 67468440

IUPAC2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid
SMILESCn1nc(C2CC(c3ccccn3)CCN2C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c1-25-19(14-5-7-16(22)8-6-14)13-18(24-25)20-12-15(9-11-26(20)21(27)28)17-4-2-3-10-23-17/h2-8,10,13,15,20H,9,11-12H2,1H3,(H,27,28)
InChIKeyQBBBEWFXHZNRRT-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.22
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid

2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid (PubChem CID 67468440) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid
PubChem CID67468440
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid
SMILESCn1nc(C2CC(c3ccccn3)CCN2C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c1-25-19(14-5-7-16(22)8-6-14)13-18(24-25)20-12-15(9-11-26(20)21(27)28)17-4-2-3-10-23-17/h2-8,10,13,15,20H,9,11-12H2,1H3,(H,27,28)
InChIKeyQBBBEWFXHZNRRT-UHFFFAOYSA-N
XLogP4.22
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid (CID 67468440) is 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid is Cn1nc(C2CC(c3ccccn3)CCN2C(=O)O)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid?
The InChIKey is QBBBEWFXHZNRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-25-19(14-5-7-16(22)8-6-14)13-18(24-25)20-12-15(9-11-26(20)21(27)28)17-4-2-3-10-23-17/h2-8,10,13,15,20H,9,11-12H2,1H3,(H,27,28).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid?
2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid has a molecular weight of 380.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-4-pyridin-2-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67468440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).