propanoic acid;1H-pyrazole

C6H10N2O2 — CID 19797570

IUPACpropanoic acid;1H-pyrazole
SMILESCCC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyZPASEBVQANBCFC-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.89
Rot. Bonds1

About propanoic acid;1H-pyrazole

propanoic acid;1H-pyrazole (PubChem CID 19797570) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is propanoic acid;1H-pyrazole.

Molecular Properties

Compound Namepropanoic acid;1H-pyrazole
PubChem CID19797570
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namepropanoic acid;1H-pyrazole
SMILESCCC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyZPASEBVQANBCFC-UHFFFAOYSA-N
XLogP0.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;1H-pyrazole?
The IUPAC name of propanoic acid;1H-pyrazole (CID 19797570) is propanoic acid;1H-pyrazole.
What is the SMILES notation for propanoic acid;1H-pyrazole?
The canonical SMILES for propanoic acid;1H-pyrazole is CCC(=O)O.c1cn[nH]c1.
What is the InChIKey of propanoic acid;1H-pyrazole?
The InChIKey is ZPASEBVQANBCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;1H-pyrazole?
propanoic acid;1H-pyrazole has a molecular weight of 142.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1H-pyrazole is sourced from PubChem (CID 19797570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).