N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide

C25H23N3O — CID 135132671

IUPACN-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCc1ccccc1CCNC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H23N3O/c1-18-9-5-6-10-19(18)15-16-26-25(29)22-14-8-7-13-21(22)24-17-23(27-28-24)20-11-3-2-4-12-20/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyCVLPWABMUHEOHF-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.02
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide

N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (PubChem CID 135132671) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
PubChem CID135132671
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCc1ccccc1CCNC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H23N3O/c1-18-9-5-6-10-19(18)15-16-26-25(29)22-14-8-7-13-21(22)24-17-23(27-28-24)20-11-3-2-4-12-20/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyCVLPWABMUHEOHF-UHFFFAOYSA-N
XLogP5.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)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-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138265
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134462934
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135133207
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
CID 91120508
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
N-methyl-2-[3-[3-[5-[2-[1-(methylamino)ethenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzamide
CID 145326488

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (CID 135132671) is N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is Cc1ccccc1CCNC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is CVLPWABMUHEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-9-5-6-10-19(18)15-16-26-25(29)22-14-8-7-13-21(22)24-17-23(27-28-24)20-11-3-2-4-12-20/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 135132671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).