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

C14H18N4O — CID 106103857

IUPAC2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H18N4O/c1-10-4-3-5-12(13(10)15)14(19)16-8-6-11-7-9-18(2)17-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19)
InChIKeyABDLPWYBZKEBRT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.28
Rot. Bonds4

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

2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 106103857) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID106103857
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H18N4O/c1-10-4-3-5-12(13(10)15)14(19)16-8-6-11-7-9-18(2)17-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19)
InChIKeyABDLPWYBZKEBRT-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.28
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

2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 106103857) is 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2ccn(C)n2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is ABDLPWYBZKEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-3-5-12(13(10)15)14(19)16-8-6-11-7-9-18(2)17-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106103857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).