N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C25H26FN5O2 — CID 55954375

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C25H26FN5O2/c1-30-14-12-27-24(30)17-33-22-10-8-18(9-11-22)25(32)31(2)13-4-7-21-16-23(29-28-21)19-5-3-6-20(26)15-19/h3,5-6,8-12,14-16H,4,7,13,17H2,1-2H3,(H,28,29)
InChIKeyJJOLZSFLKUAYTP-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.23
Rot. Bonds9

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55954375) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55954375
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C25H26FN5O2/c1-30-14-12-27-24(30)17-33-22-10-8-18(9-11-22)25(32)31(2)13-4-7-21-16-23(29-28-21)19-5-3-6-20(26)15-19/h3,5-6,8-12,14-16H,4,7,13,17H2,1-2H3,(H,28,29)
InChIKeyJJOLZSFLKUAYTP-UHFFFAOYSA-N
XLogP4.23
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-phenoxyphenyl)-3-(1-prop-2-enoylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117677006
6-(4-phenoxyphenyl)-2-(1-prop-2-enoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117676992
N-[5-(2,3-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233611
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964069
N-[5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70682196
4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide
CID 72737416
4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 162664937
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide
CID 118537136
4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537218
US11014929, Example 31
CID 134326850
US11014929, Example 22
CID 134327038

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55954375) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is JJOLZSFLKUAYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-30-14-12-27-24(30)17-33-22-10-8-18(9-11-22)25(32)31(2)13-4-7-21-16-23(29-28-21)19-5-3-6-20(26)15-19/h3,5-6,8-12,14-16H,4,7,13,17H2,1-2H3,(H,28,29).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 447.51 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).