4-amino-3-(2-pyrazol-1-ylethylamino)benzamide

C12H15N5O — CID 63356229

IUPAC4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NCCn2cccn2)c1
InChIInChI=1S/C12H15N5O/c13-10-3-2-9(12(14)18)8-11(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,13H2,(H2,14,18)
InChIKeyDOIGUQNGDKHWNA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide

4-amino-3-(2-pyrazol-1-ylethylamino)benzamide (PubChem CID 63356229) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
PubChem CID63356229
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NCCn2cccn2)c1
InChIInChI=1S/C12H15N5O/c13-10-3-2-9(12(14)18)8-11(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,13H2,(H2,14,18)
InChIKeyDOIGUQNGDKHWNA-UHFFFAOYSA-N
XLogP0.68
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
4-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63356921
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
CID 54951839
4-amino-3-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115594
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide?
The IUPAC name of 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide (CID 63356229) is 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide?
The canonical SMILES for 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide is NC(=O)c1ccc(N)c(NCCn2cccn2)c1.
What is the InChIKey of 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide?
The InChIKey is DOIGUQNGDKHWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-10-3-2-9(12(14)18)8-11(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,13H2,(H2,14,18).
What are the key properties of 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide?
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-pyrazol-1-ylethylamino)benzamide is sourced from PubChem (CID 63356229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).