N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

C6H9N3O2 — CID 45121471

IUPACN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O2/c1-4(10)7-3-5-2-6(11)9-8-5/h2H,3H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyVIEVHHUEDLVGAG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.66
Rot. Bonds2

About N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (PubChem CID 45121471) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
PubChem CID45121471
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O2/c1-4(10)7-3-5-2-6(11)9-8-5/h2H,3H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyVIEVHHUEDLVGAG-UHFFFAOYSA-N
XLogP-0.66
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (CID 45121471) is N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is CC(=O)NCc1cc(=O)[nH][nH]1.
What is the InChIKey of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The InChIKey is VIEVHHUEDLVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(10)7-3-5-2-6(11)9-8-5/h2H,3H2,1H3,(H,7,10)(H2,8,9,11).
What are the key properties of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide has a molecular weight of 155.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45121471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).