acetic acid;1H-pyrazole

C5H8N2O2 — CID 22217988

IUPACacetic acid;1H-pyrazole
SMILESCC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H,3,4)
InChIKeyMDXDLWCTQWPZLI-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.50
Rot. Bonds

About acetic acid;1H-pyrazole

acetic acid;1H-pyrazole (PubChem CID 22217988) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is acetic acid;1H-pyrazole.

Molecular Properties

Compound Nameacetic acid;1H-pyrazole
PubChem CID22217988
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Nameacetic acid;1H-pyrazole
SMILESCC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H,3,4)
InChIKeyMDXDLWCTQWPZLI-UHFFFAOYSA-N
XLogP0.50
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-pyrazole?
The IUPAC name of acetic acid;1H-pyrazole (CID 22217988) is acetic acid;1H-pyrazole.
What is the SMILES notation for acetic acid;1H-pyrazole?
The canonical SMILES for acetic acid;1H-pyrazole is CC(=O)O.c1cn[nH]c1.
What is the InChIKey of acetic acid;1H-pyrazole?
The InChIKey is MDXDLWCTQWPZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h1-3H,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;1H-pyrazole?
acetic acid;1H-pyrazole has a molecular weight of 128.13 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-pyrazole is sourced from PubChem (CID 22217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).