4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C21H19FN4O3 — CID 1312047

IUPAC4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O3/c22-16-8-6-15(7-9-16)20(27)24-19-18(21(28)25-10-12-29-13-11-25)14-23-26(19)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,27)
InChIKeyOQBLIJJBMLVYOM-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.74
Rot. Bonds4

About 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1312047) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1312047
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O3/c22-16-8-6-15(7-9-16)20(27)24-19-18(21(28)25-10-12-29-13-11-25)14-23-26(19)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,27)
InChIKeyOQBLIJJBMLVYOM-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1312047) is 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is OQBLIJJBMLVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-8-6-15(7-9-16)20(27)24-19-18(21(28)25-10-12-29-13-11-25)14-23-26(19)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,27).
What are the key properties of 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 394.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1312047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).