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

C13H17N5O — CID 106106264

IUPAC5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCn1ccc(CCNc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C13H17N5O/c1-18-7-5-10(17-18)4-6-16-12-3-2-9(14)8-11(12)13(15)19/h2-3,5,7-8,16H,4,6,14H2,1H3,(H2,15,19)
InChIKeyMEARNPWJVPETMK-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.76
Rot. Bonds5

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

5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (PubChem CID 106106264) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
PubChem CID106106264
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCn1ccc(CCNc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C13H17N5O/c1-18-7-5-10(17-18)4-6-16-12-3-2-9(14)8-11(12)13(15)19/h2-3,5,7-8,16H,4,6,14H2,1H3,(H2,15,19)
InChIKeyMEARNPWJVPETMK-UHFFFAOYSA-N
XLogP0.76
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63330742
3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 114144102
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
2-amino-3-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105322
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The IUPAC name of 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (CID 106106264) is 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is Cn1ccc(CCNc2ccc(N)cc2C(N)=O)n1.
What is the InChIKey of 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The InChIKey is MEARNPWJVPETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-7-5-10(17-18)4-6-16-12-3-2-9(14)8-11(12)13(15)19/h2-3,5,7-8,16H,4,6,14H2,1H3,(H2,15,19).
What are the key properties of 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106106264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).