4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide

C20H21N3O — CID 9112873

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-14-4-6-17(7-5-14)13-21-20(24)18-8-10-19(11-9-18)23-16(3)12-15(2)22-23/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyBZCVWAOXBWJVIZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.73
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 9112873) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID9112873
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-14-4-6-17(7-5-14)13-21-20(24)18-8-10-19(11-9-18)23-16(3)12-15(2)22-23/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyBZCVWAOXBWJVIZ-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 50847234
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide (CID 9112873) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is BZCVWAOXBWJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-4-6-17(7-5-14)13-21-20(24)18-8-10-19(11-9-18)23-16(3)12-15(2)22-23/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.73, 4 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-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 9112873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).