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

C12H13N3O2 — CID 20575910

IUPACN-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(N2N=CCC2=O)c1
InChIInChI=1S/C12H13N3O2/c1-8-5-10(14-9(2)16)7-11(6-8)15-12(17)3-4-13-15/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyFWKUAWNCLIRRSS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds2

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

N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (PubChem CID 20575910) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
PubChem CID20575910
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(N2N=CCC2=O)c1
InChIInChI=1S/C12H13N3O2/c1-8-5-10(14-9(2)16)7-11(6-8)15-12(17)3-4-13-15/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyFWKUAWNCLIRRSS-UHFFFAOYSA-N
XLogP1.68
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (CID 20575910) is N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is CC(=O)Nc1cc(C)cc(N2N=CCC2=O)c1.
What is the InChIKey of N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The InChIKey is FWKUAWNCLIRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-5-10(14-9(2)16)7-11(6-8)15-12(17)3-4-13-15/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 20575910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).