4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide

C15H18N4O2 — CID 146124161

IUPAC4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-3-5-12(6-4-11)15(21)17-10-14(20)16-9-13-7-8-19(2)18-13/h3-8H,9-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZNTOXTJTTWRSBU-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.77
Rot. Bonds5

About 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide

4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 146124161) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID146124161
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-3-5-12(6-4-11)15(21)17-10-14(20)16-9-13-7-8-19(2)18-13/h3-8H,9-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZNTOXTJTTWRSBU-UHFFFAOYSA-N
XLogP0.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159302
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide (CID 146124161) is 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCc2ccn(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZNTOXTJTTWRSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-3-5-12(6-4-11)15(21)17-10-14(20)16-9-13-7-8-19(2)18-13/h3-8H,9-10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide?
4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 286.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 146124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).