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

C21H19FN4O3 — CID 1204124

IUPAC2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H19FN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27)
InChIKeyYFMOXWXOUKODRG-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.74
Rot. Bonds4

About 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1204124) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1204124
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H19FN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27)
InChIKeyYFMOXWXOUKODRG-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 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1204124) is 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is YFMOXWXOUKODRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27).
What are the key properties of 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
2-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 2-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1204124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).