2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide

C12H15N5O — CID 102807082

IUPAC2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
SMILESCc1nn(C)cc1Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H15N5O/c1-7-10(6-17(2)16-7)15-9-5-3-4-8(11(9)13)12(14)18/h3-6,15H,13H2,1-2H3,(H2,14,18)
InChIKeySZZGTFUJDLCVLL-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide

2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide (PubChem CID 102807082) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
PubChem CID102807082
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
SMILESCc1nn(C)cc1Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H15N5O/c1-7-10(6-17(2)16-7)15-9-5-3-4-8(11(9)13)12(14)18/h3-6,15H,13H2,1-2H3,(H2,14,18)
InChIKeySZZGTFUJDLCVLL-UHFFFAOYSA-N
XLogP1.15
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]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

2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
CID 144733159
4-[(1,3-dimethylpyrazol-4-yl)amino]-2,3-difluorobenzenecarbothioamide
CID 107935318
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-[(1-propan-2-ylpyrazol-4-yl)amino]benzamide
CID 115545956

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide?
The IUPAC name of 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide (CID 102807082) is 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide is Cc1nn(C)cc1Nc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide?
The InChIKey is SZZGTFUJDLCVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-10(6-17(2)16-7)15-9-5-3-4-8(11(9)13)12(14)18/h3-6,15H,13H2,1-2H3,(H2,14,18).
What are the key properties of 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide?
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 102807082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).