[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone

C21H21FN4O2 — CID 45192154

IUPAC[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCCCC1c1ccccn1
InChIInChI=1S/C21H21FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12-13,20H,2,4,9,11,14H2,(H,24,25)
InChIKeyAEWQVTYAGPWARG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.89
Rot. Bonds5

About [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone

[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 45192154) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID45192154
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCCCC1c1ccccn1
InChIInChI=1S/C21H21FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12-13,20H,2,4,9,11,14H2,(H,24,25)
InChIKeyAEWQVTYAGPWARG-UHFFFAOYSA-N
XLogP3.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 45192154) is [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCCCC1c1ccccn1.
What is the InChIKey of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is AEWQVTYAGPWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12-13,20H,2,4,9,11,14H2,(H,24,25).
What are the key properties of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45192154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).