N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide

C25H22FN3O2 — CID 69072885

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide
SMILESCc1ccccc1OCc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H22FN3O2/c1-18-5-2-3-8-24(18)31-17-20-6-4-7-21(13-20)25(30)28-23-14-27-29(16-23)15-19-9-11-22(26)12-10-19/h2-14,16H,15,17H2,1H3,(H,28,30)
InChIKeyRUZCGAVLMNHSDA-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.21
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide (PubChem CID 69072885) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide
PubChem CID69072885
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide
SMILESCc1ccccc1OCc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H22FN3O2/c1-18-5-2-3-8-24(18)31-17-20-6-4-7-21(13-20)25(30)28-23-14-27-29(16-23)15-19-9-11-22(26)12-10-19/h2-14,16H,15,17H2,1H3,(H,28,30)
InChIKeyRUZCGAVLMNHSDA-UHFFFAOYSA-N
XLogP5.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)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

Related Compounds

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide (CID 69072885) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide is Cc1ccccc1OCc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide?
The InChIKey is RUZCGAVLMNHSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-18-5-2-3-8-24(18)31-17-20-6-4-7-21(13-20)25(30)28-23-14-27-29(16-23)15-19-9-11-22(26)12-10-19/h2-14,16H,15,17H2,1H3,(H,28,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(2-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 69072885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).