N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide

C12H13N3O2 — CID 2831514

IUPACN-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C12H13N3O2/c1-8-11(13-9(2)16)12(17)15(14-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,13,16)
InChIKeySSFAVAJPXJFYHH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.43
Rot. Bonds2

About N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide

N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide (PubChem CID 2831514) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
PubChem CID2831514
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C12H13N3O2/c1-8-11(13-9(2)16)12(17)15(14-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,13,16)
InChIKeySSFAVAJPXJFYHH-UHFFFAOYSA-N
XLogP1.43
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide (CID 2831514) is N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is SSFAVAJPXJFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(13-9(2)16)12(17)15(14-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,13,16).
What are the key properties of N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide?
N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 2831514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).