N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide

C13H14N4O2 — CID 747516

IUPACN-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C13H14N4O2/c1-9(18)15-10-3-5-11(6-4-10)16-13(19)12-7-8-14-17(12)2/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYEDBGJGVFOBORP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.63
Rot. Bonds3

About N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide

N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 747516) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID747516
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C13H14N4O2/c1-9(18)15-10-3-5-11(6-4-10)16-13(19)12-7-8-14-17(12)2/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYEDBGJGVFOBORP-UHFFFAOYSA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide (CID 747516) is N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is YEDBGJGVFOBORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)15-10-3-5-11(6-4-10)16-13(19)12-7-8-14-17(12)2/h3-8H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide?
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 747516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).