3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

C21H21FN4O2 — CID 169412113

IUPAC3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1cc(F)cc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H21FN4O2/c22-18-12-16(11-17(13-18)21(27)23-14-19-5-6-24-25-19)15-1-3-20(4-2-15)26-7-9-28-10-8-26/h1-6,11-13H,7-10,14H2,(H,23,27)(H,24,25)
InChIKeyMWRLJVANXLDUIA-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.98
Rot. Bonds5

About 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 169412113) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID169412113
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1cc(F)cc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H21FN4O2/c22-18-12-16(11-17(13-18)21(27)23-14-19-5-6-24-25-19)15-1-3-20(4-2-15)26-7-9-28-10-8-26/h1-6,11-13H,7-10,14H2,(H,23,27)(H,24,25)
InChIKeyMWRLJVANXLDUIA-UHFFFAOYSA-N
XLogP2.98
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 103706824
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 47285769
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86861797
1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 97087430
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 169412113) is 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is O=C(NCc1ccn[nH]1)c1cc(F)cc(-c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is MWRLJVANXLDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-12-16(11-17(13-18)21(27)23-14-19-5-6-24-25-19)15-1-3-20(4-2-15)26-7-9-28-10-8-26/h1-6,11-13H,7-10,14H2,(H,23,27)(H,24,25).
What are the key properties of 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-morpholin-4-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 169412113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).