3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide

C13H17N5O — CID 61104637

IUPAC3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccn(C)n2)cc1N
InChIInChI=1S/C13H17N5O/c1-17(2)11-5-4-9(8-10(11)14)13(19)15-12-6-7-18(3)16-12/h4-8H,14H2,1-3H3,(H,15,16,19)
InChIKeyJMYVOLSXMFDPDJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide

3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 61104637) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID61104637
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccn(C)n2)cc1N
InChIInChI=1S/C13H17N5O/c1-17(2)11-5-4-9(8-10(11)14)13(19)15-12-6-7-18(3)16-12/h4-8H,14H2,1-3H3,(H,15,16,19)
InChIKeyJMYVOLSXMFDPDJ-UHFFFAOYSA-N
XLogP1.32
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
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 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide (CID 61104637) is 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide is CN(C)c1ccc(C(=O)Nc2ccn(C)n2)cc1N.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is JMYVOLSXMFDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)11-5-4-9(8-10(11)14)13(19)15-12-6-7-18(3)16-12/h4-8H,14H2,1-3H3,(H,15,16,19).
What are the key properties of 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide?
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).