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

C14H19N5O — CID 106103991

IUPAC4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCc2ccn(C)n2)c1
InChIInChI=1S/C14H19N5O/c1-16-14(20)10-3-4-12(15)13(9-10)17-7-5-11-6-8-19(2)18-11/h3-4,6,8-9,17H,5,7,15H2,1-2H3,(H,16,20)
InChIKeyQEHQMOFKUVDAGL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.02
Rot. Bonds5

About 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide

4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (PubChem CID 106103991) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
PubChem CID106103991
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCc2ccn(C)n2)c1
InChIInChI=1S/C14H19N5O/c1-16-14(20)10-3-4-12(15)13(9-10)17-7-5-11-6-8-19(2)18-11/h3-4,6,8-9,17H,5,7,15H2,1-2H3,(H,16,20)
InChIKeyQEHQMOFKUVDAGL-UHFFFAOYSA-N
XLogP1.02
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (CID 106103991) is 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)c(NCCc2ccn(C)n2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The InChIKey is QEHQMOFKUVDAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-14(20)10-3-4-12(15)13(9-10)17-7-5-11-6-8-19(2)18-11/h3-4,6,8-9,17H,5,7,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106103991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).