N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide

C24H21N3O2 — CID 3372740

IUPACN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-8-12-20(13-9-17)27-23(16-18(2)26-27)25-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,25,28)
InChIKeyVKFHFSWGVMRQFQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.53
Rot. Bonds5

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide (PubChem CID 3372740) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
PubChem CID3372740
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-8-12-20(13-9-17)27-23(16-18(2)26-27)25-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,25,28)
InChIKeyVKFHFSWGVMRQFQ-UHFFFAOYSA-N
XLogP5.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
CID 112772631
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
CID 55508215
3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
CID 43018544
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide?
The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide (CID 3372740) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide?
The InChIKey is VKFHFSWGVMRQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-8-12-20(13-9-17)27-23(16-18(2)26-27)25-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide?
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide is sourced from PubChem (CID 3372740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).