1-ethenylpyrazole

C5H6N2 — CID 6420997

IUPAC1-ethenylpyrazole
SMILESC=Cn1cccn1
InChIInChI=1S/C5H6N2/c1-2-7-5-3-4-6-7/h2-5H,1H2
InChIKeyNWHSSMRWECHZEP-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.98
Rot. Bonds1

About 1-ethenylpyrazole

1-ethenylpyrazole (PubChem CID 6420997) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 1-ethenylpyrazole.

Molecular Properties

Compound Name1-ethenylpyrazole
PubChem CID6420997
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name1-ethenylpyrazole
SMILESC=Cn1cccn1
InChIInChI=1S/C5H6N2/c1-2-7-5-3-4-6-7/h2-5H,1H2
InChIKeyNWHSSMRWECHZEP-UHFFFAOYSA-N
XLogP0.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrazole?
The IUPAC name of 1-ethenylpyrazole (CID 6420997) is 1-ethenylpyrazole.
What is the SMILES notation for 1-ethenylpyrazole?
The canonical SMILES for 1-ethenylpyrazole is C=Cn1cccn1.
What is the InChIKey of 1-ethenylpyrazole?
The InChIKey is NWHSSMRWECHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-7-5-3-4-6-7/h2-5H,1H2.
What are the key properties of 1-ethenylpyrazole?
1-ethenylpyrazole has a molecular weight of 94.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrazole is sourced from PubChem (CID 6420997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).