2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C20H21N3O — CID 41412698

IUPAC2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C20H21N3O/c1-15-5-3-6-19(16(15)2)20(24)21-13-11-17-7-9-18(10-8-17)23-14-4-12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,24)
InChIKeyCFWKRDJWLZSQOI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.46
Rot. Bonds5

About 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 41412698) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID41412698
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C20H21N3O/c1-15-5-3-6-19(16(15)2)20(24)21-13-11-17-7-9-18(10-8-17)23-14-4-12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,24)
InChIKeyCFWKRDJWLZSQOI-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087
2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31002817
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
5,7-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43058930
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide
CID 85487474

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 41412698) is 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is CFWKRDJWLZSQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-5-3-6-19(16(15)2)20(24)21-13-11-17-7-9-18(10-8-17)23-14-4-12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,24).
What are the key properties of 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 41412698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).