4-(1-ethoxyethenyl)-1H-pyrazole

C7H10N2O — CID 67561864

IUPAC4-(1-ethoxyethenyl)-1H-pyrazole
SMILESC=C(OCC)c1cn[nH]c1
InChIInChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-9-5-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyQCPMJYBVMAPDMH-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.42
Rot. Bonds3

About 4-(1-ethoxyethenyl)-1H-pyrazole

4-(1-ethoxyethenyl)-1H-pyrazole (PubChem CID 67561864) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-1H-pyrazole
PubChem CID67561864
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-(1-ethoxyethenyl)-1H-pyrazole
SMILESC=C(OCC)c1cn[nH]c1
InChIInChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-9-5-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyQCPMJYBVMAPDMH-UHFFFAOYSA-N
XLogP1.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-1H-pyrazole?
The IUPAC name of 4-(1-ethoxyethenyl)-1H-pyrazole (CID 67561864) is 4-(1-ethoxyethenyl)-1H-pyrazole.
What is the SMILES notation for 4-(1-ethoxyethenyl)-1H-pyrazole?
The canonical SMILES for 4-(1-ethoxyethenyl)-1H-pyrazole is C=C(OCC)c1cn[nH]c1.
What is the InChIKey of 4-(1-ethoxyethenyl)-1H-pyrazole?
The InChIKey is QCPMJYBVMAPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-9-5-7/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-(1-ethoxyethenyl)-1H-pyrazole?
4-(1-ethoxyethenyl)-1H-pyrazole has a molecular weight of 138.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-1H-pyrazole is sourced from PubChem (CID 67561864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).