5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide

C14H19N5O — CID 61090056

IUPAC5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2N(C)C)n(C)n1
InChIInChI=1S/C14H19N5O/c1-9-7-13(19(4)17-9)16-14(20)11-8-10(15)5-6-12(11)18(2)3/h5-8H,15H2,1-4H3,(H,16,20)
InChIKeyGWIPHVOBZGSBSS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide

5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 61090056) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID61090056
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2N(C)C)n(C)n1
InChIInChI=1S/C14H19N5O/c1-9-7-13(19(4)17-9)16-14(20)11-8-10(15)5-6-12(11)18(2)3/h5-8H,15H2,1-4H3,(H,16,20)
InChIKeyGWIPHVOBZGSBSS-UHFFFAOYSA-N
XLogP1.63
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 61090056) is 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(N)ccc2N(C)C)n(C)n1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is GWIPHVOBZGSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-7-13(19(4)17-9)16-14(20)11-8-10(15)5-6-12(11)18(2)3/h5-8H,15H2,1-4H3,(H,16,20).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61090056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).