4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide

C19H19N3O — CID 2354201

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1
InChIInChI=1S/C19H19N3O/c1-13-6-4-5-7-18(13)20-19(23)16-8-10-17(11-9-16)22-15(3)12-14(2)21-22/h4-12H,1-3H3,(H,20,23)
InChIKeyBIFOPLWPMGNOJN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide (PubChem CID 2354201) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
PubChem CID2354201
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1
InChIInChI=1S/C19H19N3O/c1-13-6-4-5-7-18(13)20-19(23)16-8-10-17(11-9-16)22-15(3)12-14(2)21-22/h4-12H,1-3H3,(H,20,23)
InChIKeyBIFOPLWPMGNOJN-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972966
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715651
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(2-aminophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide;4-(3,5-dimethylpyrazol-1-yl)benzoic acid;4-hydrazinylbenzoic acid
CID 162052991
tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
CID 71910266
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 75447935

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide (CID 2354201) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide?
The InChIKey is BIFOPLWPMGNOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-6-4-5-7-18(13)20-19(23)16-8-10-17(11-9-16)22-15(3)12-14(2)21-22/h4-12H,1-3H3,(H,20,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 2354201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).