3-amino-N-methyl-4-pyrazol-1-ylbenzamide

C11H12N4O — CID 82999431

IUPAC3-amino-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCNC(=O)c1ccc(-n2cccn2)c(N)c1
InChIInChI=1S/C11H12N4O/c1-13-11(16)8-3-4-10(9(12)7-8)15-6-2-5-14-15/h2-7H,12H2,1H3,(H,13,16)
InChIKeyOORXSTATRIOHBC-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.81
Rot. Bonds2

About 3-amino-N-methyl-4-pyrazol-1-ylbenzamide

3-amino-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 82999431) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID82999431
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-amino-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCNC(=O)c1ccc(-n2cccn2)c(N)c1
InChIInChI=1S/C11H12N4O/c1-13-11(16)8-3-4-10(9(12)7-8)15-6-2-5-14-15/h2-7H,12H2,1H3,(H,13,16)
InChIKeyOORXSTATRIOHBC-UHFFFAOYSA-N
XLogP0.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of 3-amino-N-methyl-4-pyrazol-1-ylbenzamide (CID 82999431) is 3-amino-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-amino-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-amino-N-methyl-4-pyrazol-1-ylbenzamide is CNC(=O)c1ccc(-n2cccn2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is OORXSTATRIOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-13-11(16)8-3-4-10(9(12)7-8)15-6-2-5-14-15/h2-7H,12H2,1H3,(H,13,16).
What are the key properties of 3-amino-N-methyl-4-pyrazol-1-ylbenzamide?
3-amino-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 216.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 82999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).