[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone

C19H17FN4O2 — CID 53067825

IUPAC[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCOCC1
InChIInChI=1S/C19H17FN4O2/c20-15-3-5-16(6-4-15)24-18(14-2-1-7-21-13-14)12-17(22-24)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2
InChIKeyXURQWDFRDAZJAP-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.55
Rot. Bonds3

About [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone

[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 53067825) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID53067825
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCOCC1
InChIInChI=1S/C19H17FN4O2/c20-15-3-5-16(6-4-15)24-18(14-2-1-7-21-13-14)12-17(22-24)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2
InChIKeyXURQWDFRDAZJAP-UHFFFAOYSA-N
XLogP2.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 53067825) is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCOCC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XURQWDFRDAZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-3-5-16(6-4-15)24-18(14-2-1-7-21-13-14)12-17(22-24)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2.
What are the key properties of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 352.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53067825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).