[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H20FN3O2 — CID 56880751

IUPAC[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-5-2-1-4-13(15)16-14(12-20-21-16)17(23)22-9-7-18(8-10-22)6-3-11-24-18/h1-2,4-5,12H,3,6-11H2,(H,20,21)
InChIKeyLPKXWXWVDSTZPR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds2

About [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56880751) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56880751
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-5-2-1-4-13(15)16-14(12-20-21-16)17(23)22-9-7-18(8-10-22)6-3-11-24-18/h1-2,4-5,12H,3,6-11H2,(H,20,21)
InChIKeyLPKXWXWVDSTZPR-UHFFFAOYSA-N
XLogP3.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 56880751) is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1F)N1CCC2(CCCO2)CC1.
What is the InChIKey of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LPKXWXWVDSTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-2-1-4-13(15)16-14(12-20-21-16)17(23)22-9-7-18(8-10-22)6-3-11-24-18/h1-2,4-5,12H,3,6-11H2,(H,20,21).
What are the key properties of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 329.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56880751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).