acetamide;1H-pyrazole

C5H9N3O — CID 159377982

IUPACacetamide;1H-pyrazole
SMILESCC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H5NO/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H2,3,4)
InChIKeyLKODABSJFWUISU-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.10
Rot. Bonds

About acetamide;1H-pyrazole

acetamide;1H-pyrazole (PubChem CID 159377982) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is acetamide;1H-pyrazole.

Molecular Properties

Compound Nameacetamide;1H-pyrazole
PubChem CID159377982
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Nameacetamide;1H-pyrazole
SMILESCC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H5NO/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H2,3,4)
InChIKeyLKODABSJFWUISU-UHFFFAOYSA-N
XLogP-0.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetamide;1H-pyrazole?
The IUPAC name of acetamide;1H-pyrazole (CID 159377982) is acetamide;1H-pyrazole.
What is the SMILES notation for acetamide;1H-pyrazole?
The canonical SMILES for acetamide;1H-pyrazole is CC(N)=O.c1cn[nH]c1.
What is the InChIKey of acetamide;1H-pyrazole?
The InChIKey is LKODABSJFWUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H5NO/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H2,3,4).
What are the key properties of acetamide;1H-pyrazole?
acetamide;1H-pyrazole has a molecular weight of 127.15 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-pyrazole is sourced from PubChem (CID 159377982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).