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

C6H9N3O2 — CID 45121500

IUPACN-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c[nH]n(C)c1=O
InChIInChI=1S/C6H9N3O2/c1-4(10)8-5-3-7-9(2)6(5)11/h3,7H,1-2H3,(H,8,10)
InChIKeyAYLBTYPIGZMQCL-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds1

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

N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide (PubChem CID 45121500) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide
PubChem CID45121500
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c[nH]n(C)c1=O
InChIInChI=1S/C6H9N3O2/c1-4(10)8-5-3-7-9(2)6(5)11/h3,7H,1-2H3,(H,8,10)
InChIKeyAYLBTYPIGZMQCL-UHFFFAOYSA-N
XLogP-0.33
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide
CID 167931570
4-Amino-1-ethyl-1H-pyrazol-5-ol
CID 15847213
2-(4-amino-3-oxo-1H-pyrazol-2-yl)ethyl-trimethylazanium
CID 17865215
1,2-Diethyl-4-(ethylamino)pyrazol-3-one
CID 20699044
N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide
CID 21051519
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 21501955
2-(4-amino-3-oxo-1H-pyrazol-2-yl)ethyl-trimethylazanium chloride
CID 22392199
4-Amino-1,2-diethylpyrazol-3-one
CID 23158454
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
4-amino-1-ethyl-5-hydroxy-1H-pyrazol-sulfate
CID 69362706
4-amino-1-methyl-1H-pyrazol-5-ol
CID 70459073
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide (CID 45121500) is N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1c[nH]n(C)c1=O.
What is the InChIKey of N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide?
The InChIKey is AYLBTYPIGZMQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(10)8-5-3-7-9(2)6(5)11/h3,7H,1-2H3,(H,8,10).
What are the key properties of N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide?
N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide has a molecular weight of 155.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 45121500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).