prop-2-enoic acid;1H-pyrazole

C6H8N2O2 — CID 67724519

IUPACprop-2-enoic acid;1H-pyrazole
SMILESC=CC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H,1H2,(H,4,5)
InChIKeyNXZGIDGNDLSFDH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.67
Rot. Bonds1

About prop-2-enoic acid;1H-pyrazole

prop-2-enoic acid;1H-pyrazole (PubChem CID 67724519) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is prop-2-enoic acid;1H-pyrazole.

Molecular Properties

Compound Nameprop-2-enoic acid;1H-pyrazole
PubChem CID67724519
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Nameprop-2-enoic acid;1H-pyrazole
SMILESC=CC(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H,1H2,(H,4,5)
InChIKeyNXZGIDGNDLSFDH-UHFFFAOYSA-N
XLogP0.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;1H-pyrazole?
The IUPAC name of prop-2-enoic acid;1H-pyrazole (CID 67724519) is prop-2-enoic acid;1H-pyrazole.
What is the SMILES notation for prop-2-enoic acid;1H-pyrazole?
The canonical SMILES for prop-2-enoic acid;1H-pyrazole is C=CC(=O)O.c1cn[nH]c1.
What is the InChIKey of prop-2-enoic acid;1H-pyrazole?
The InChIKey is NXZGIDGNDLSFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h1-3H,(H,4,5);2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;1H-pyrazole?
prop-2-enoic acid;1H-pyrazole has a molecular weight of 140.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;1H-pyrazole is sourced from PubChem (CID 67724519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).