5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C13H16N4O — CID 82882259

IUPAC5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(14)7-12(9)13(18)15-8-11-5-6-17(2)16-11/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyDLYDEKFWSBABBW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 82882259) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID82882259
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(14)7-12(9)13(18)15-8-11-5-6-17(2)16-11/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyDLYDEKFWSBABBW-UHFFFAOYSA-N
XLogP1.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
6-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103543335
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 82875126
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159302
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
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 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 82882259) is 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1ccc(N)cc1C(=O)NCc1ccn(C)n1.
What is the InChIKey of 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is DLYDEKFWSBABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-4-10(14)7-12(9)13(18)15-8-11-5-6-17(2)16-11/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 82882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).