1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

C14H17N5O2 — CID 82992414

IUPAC1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1
InChIInChI=1S/C14H17N5O2/c1-16-13(20)9-4-5-12(10(15)8-9)19-7-6-11(17-19)14(21)18(2)3/h4-8H,15H2,1-3H3,(H,16,20)
InChIKeyRWVUZUKOMSOFTD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.52
Rot. Bonds3

About 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 82992414) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID82992414
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1
InChIInChI=1S/C14H17N5O2/c1-16-13(20)9-4-5-12(10(15)8-9)19-7-6-11(17-19)14(21)18(2)3/h4-8H,15H2,1-3H3,(H,16,20)
InChIKeyRWVUZUKOMSOFTD-UHFFFAOYSA-N
XLogP0.52
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.52
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-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 82992414) is 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is CNC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1.
What is the InChIKey of 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is RWVUZUKOMSOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-16-13(20)9-4-5-12(10(15)8-9)19-7-6-11(17-19)14(21)18(2)3/h4-8H,15H2,1-3H3,(H,16,20).
What are the key properties of 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 82992414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).