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

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 70775866
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 16602352
5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60590298
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55724707
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 41430533

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).