2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide

C15H21N5O — CID 114539587

IUPAC2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
SMILESCc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1
InChIInChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21)
InChIKeyBWTAXVQFPHYJCZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide

2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide (PubChem CID 114539587) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
PubChem CID114539587
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
SMILESCc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1
InChIInChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21)
InChIKeyBWTAXVQFPHYJCZ-UHFFFAOYSA-N
XLogP1.68
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The IUPAC name of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide (CID 114539587) is 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide.
What is the SMILES notation for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The canonical SMILES for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide is Cc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1.
What is the InChIKey of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The InChIKey is BWTAXVQFPHYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21).
What are the key properties of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide is sourced from PubChem (CID 114539587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).