N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide

C14H16N4O2 — CID 751392

IUPACN-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC(C)=O)n(C)n2)cc1
InChIInChI=1S/C14H16N4O2/c1-9(19)15-12-6-4-11(5-7-12)13-8-14(16-10(2)20)18(3)17-13/h4-8H,1-3H3,(H,15,19)(H,16,20)
InChIKeyJSTQQAMIILQEAY-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.00
Rot. Bonds3

About N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide

N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide (PubChem CID 751392) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide
PubChem CID751392
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC(C)=O)n(C)n2)cc1
InChIInChI=1S/C14H16N4O2/c1-9(19)15-12-6-4-11(5-7-12)13-8-14(16-10(2)20)18(3)17-13/h4-8H,1-3H3,(H,15,19)(H,16,20)
InChIKeyJSTQQAMIILQEAY-UHFFFAOYSA-N
XLogP2.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide (CID 751392) is N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(NC(C)=O)n(C)n2)cc1.
What is the InChIKey of N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is JSTQQAMIILQEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(19)15-12-6-4-11(5-7-12)13-8-14(16-10(2)20)18(3)17-13/h4-8H,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide?
N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 751392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).