2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

C20H21N3O — CID 19284921

IUPAC2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-18(16(3)12-14)20(24)21-19-10-11-23(22-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,21,22,24)
InChIKeyHEWFPIADMBNILN-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.11
Rot. Bonds4

About 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19284921) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19284921
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-18(16(3)12-14)20(24)21-19-10-11-23(22-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,21,22,24)
InChIKeyHEWFPIADMBNILN-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 1223563
4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
4-bromo-1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-5-carboxamide
CID 19480334
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512626
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053
1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19284921) is 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is HEWFPIADMBNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-8-9-18(16(3)12-14)20(24)21-19-10-11-23(22-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,21,22,24).
What are the key properties of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19284921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).