4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide

C20H20N4O2 — CID 53161673

IUPAC4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-3-7-18(8-4-14)23-20(26)17-5-9-19(10-6-17)24-13-16(12-22-24)11-21-15(2)25/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyNMGOZTNUERZION-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.07
Rot. Bonds5

About 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide

4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide (PubChem CID 53161673) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
PubChem CID53161673
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-3-7-18(8-4-14)23-20(26)17-5-9-19(10-6-17)24-13-16(12-22-24)11-21-15(2)25/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyNMGOZTNUERZION-UHFFFAOYSA-N
XLogP3.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682

Frequently Asked Questions

What is the IUPAC name of 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide (CID 53161673) is 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide is CC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1.
What is the InChIKey of 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide?
The InChIKey is NMGOZTNUERZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-3-7-18(8-4-14)23-20(26)17-5-9-19(10-6-17)24-13-16(12-22-24)11-21-15(2)25/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide?
4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 53161673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).