3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

C22H21FN4O3 — CID 92568482

IUPAC3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2[nH]ncc2C(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O3/c23-18-3-1-2-17(12-18)21(28)24-13-15-4-6-16(7-5-15)20-19(14-25-26-20)22(29)27-8-10-30-11-9-27/h1-7,12,14H,8-11,13H2,(H,24,28)(H,25,26)
InChIKeyYVNCXEZOIYJHNP-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.62
Rot. Bonds5

About 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (PubChem CID 92568482) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
PubChem CID92568482
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2[nH]ncc2C(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O3/c23-18-3-1-2-17(12-18)21(28)24-13-15-4-6-16(7-5-15)20-19(14-25-26-20)22(29)27-8-10-30-11-9-27/h1-7,12,14H,8-11,13H2,(H,24,28)(H,25,26)
InChIKeyYVNCXEZOIYJHNP-UHFFFAOYSA-N
XLogP2.62
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (CID 92568482) is 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is O=C(NCc1ccc(-c2[nH]ncc2C(=O)N2CCOCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The InChIKey is YVNCXEZOIYJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-18-3-1-2-17(12-18)21(28)24-13-15-4-6-16(7-5-15)20-19(14-25-26-20)22(29)27-8-10-30-11-9-27/h1-7,12,14H,8-11,13H2,(H,24,28)(H,25,26).
What are the key properties of 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide has a molecular weight of 408.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 92568482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).