[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C20H18FN3O2 — CID 1340783

IUPAC[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyDVGPZJVDZZYDFQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.15
Rot. Bonds3

About [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1340783) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1340783
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyDVGPZJVDZZYDFQ-UHFFFAOYSA-N
XLogP3.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 1340783) is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DVGPZJVDZZYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2.
What are the key properties of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 351.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1340783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).