2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

C27H25N3O3 — CID 26003123

IUPAC2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C27H25N3O3/c1-17-14-15-18(2)23(16-17)25(31)21-12-8-9-13-22(21)26(32)28-24-19(3)29(4)30(27(24)33)20-10-6-5-7-11-20/h5-16H,1-4H3,(H,28,32)
InChIKeyLUWUDPZUOAKCJX-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.58
Rot. Bonds5

About 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 26003123) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID26003123
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C27H25N3O3/c1-17-14-15-18(2)23(16-17)25(31)21-12-8-9-13-22(21)26(32)28-24-19(3)29(4)30(27(24)33)20-10-6-5-7-11-20/h5-16H,1-4H3,(H,28,32)
InChIKeyLUWUDPZUOAKCJX-UHFFFAOYSA-N
XLogP4.58
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7743757
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 28631931
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 4871364
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589
2-(2-amino-2-oxoethyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 43033936
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2240078
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 110452089
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide
CID 48980197
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 26003123) is 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is LUWUDPZUOAKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-17-14-15-18(2)23(16-17)25(31)21-12-8-9-13-22(21)26(32)28-24-19(3)29(4)30(27(24)33)20-10-6-5-7-11-20/h5-16H,1-4H3,(H,28,32).
What are the key properties of 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 26003123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).