1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide

C13H15N5O2 — CID 64780433

IUPAC1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(N)cc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C13H15N5O2/c1-17(2)13(20)10-4-3-9(14)5-11(10)18-7-8(6-16-18)12(15)19/h3-7H,14H2,1-2H3,(H2,15,19)
InChIKeyZENXRBQJTAJLSL-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.26
Rot. Bonds3

About 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 64780433) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID64780433
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(N)cc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C13H15N5O2/c1-17(2)13(20)10-4-3-9(14)5-11(10)18-7-8(6-16-18)12(15)19/h3-7H,14H2,1-2H3,(H2,15,19)
InChIKeyZENXRBQJTAJLSL-UHFFFAOYSA-N
XLogP0.26
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.26
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 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 64780433) is 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide is CN(C)C(=O)c1ccc(N)cc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ZENXRBQJTAJLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17(2)13(20)10-4-3-9(14)5-11(10)18-7-8(6-16-18)12(15)19/h3-7H,14H2,1-2H3,(H2,15,19).
What are the key properties of 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64780433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).