2-methylprop-2-enoic acid;5-methyl-1H-pyrazole

C8H12N2O2 — CID 175313871

IUPAC2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
SMILESC=C(C)C(=O)O.Cc1ccn[nH]1
InChIInChI=1S/C4H6N2.C4H6O2/c1-4-2-3-5-6-4;1-3(2)4(5)6/h2-3H,1H3,(H,5,6);1H2,2H3,(H,5,6)
InChIKeyLMOHNPOZRHQUCK-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.37
Rot. Bonds1

About 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole

2-methylprop-2-enoic acid;5-methyl-1H-pyrazole (PubChem CID 175313871) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
PubChem CID175313871
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
SMILESC=C(C)C(=O)O.Cc1ccn[nH]1
InChIInChI=1S/C4H6N2.C4H6O2/c1-4-2-3-5-6-4;1-3(2)4(5)6/h2-3H,1H3,(H,5,6);1H2,2H3,(H,5,6)
InChIKeyLMOHNPOZRHQUCK-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.37
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 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole?
The IUPAC name of 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole (CID 175313871) is 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole.
What is the SMILES notation for 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole?
The canonical SMILES for 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole is C=C(C)C(=O)O.Cc1ccn[nH]1.
What is the InChIKey of 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole?
The InChIKey is LMOHNPOZRHQUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H6O2/c1-4-2-3-5-6-4;1-3(2)4(5)6/h2-3H,1H3,(H,5,6);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole?
2-methylprop-2-enoic acid;5-methyl-1H-pyrazole has a molecular weight of 168.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;5-methyl-1H-pyrazole is sourced from PubChem (CID 175313871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).