N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide

C20H21N3O — CID 16575158

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C20H21N3O/c1-13-10-11-17(12-14(13)2)20(24)21-19-15(3)22-23(16(19)4)18-8-6-5-7-9-18/h5-12H,1-4H3,(H,21,24)
InChIKeyZUBLJBFPQSKVKN-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.36
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide (PubChem CID 16575158) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
PubChem CID16575158
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C20H21N3O/c1-13-10-11-17(12-14(13)2)20(24)21-19-15(3)22-23(16(19)4)18-8-6-5-7-9-18/h5-12H,1-4H3,(H,21,24)
InChIKeyZUBLJBFPQSKVKN-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 16575237
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 99164246
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 50887848
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 21369267

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide (CID 16575158) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide?
The InChIKey is ZUBLJBFPQSKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-10-11-17(12-14(13)2)20(24)21-19-15(3)22-23(16(19)4)18-8-6-5-7-9-18/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 16575158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).