1-prop-2-enylpyrazole

C6H8N2 — CID 3489293

IUPAC1-prop-2-enylpyrazole
SMILESC=CCn1cccn1
InChIInChI=1S/C6H8N2/c1-2-5-8-6-3-4-7-8/h2-4,6H,1,5H2
InChIKeyBPPPRRLOPGKVMQ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.07
Rot. Bonds2

About 1-prop-2-enylpyrazole

1-prop-2-enylpyrazole (PubChem CID 3489293) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-prop-2-enylpyrazole.

Molecular Properties

Compound Name1-prop-2-enylpyrazole
PubChem CID3489293
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-prop-2-enylpyrazole
SMILESC=CCn1cccn1
InChIInChI=1S/C6H8N2/c1-2-5-8-6-3-4-7-8/h2-4,6H,1,5H2
InChIKeyBPPPRRLOPGKVMQ-UHFFFAOYSA-N
XLogP1.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrazole?
The IUPAC name of 1-prop-2-enylpyrazole (CID 3489293) is 1-prop-2-enylpyrazole.
What is the SMILES notation for 1-prop-2-enylpyrazole?
The canonical SMILES for 1-prop-2-enylpyrazole is C=CCn1cccn1.
What is the InChIKey of 1-prop-2-enylpyrazole?
The InChIKey is BPPPRRLOPGKVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5-8-6-3-4-7-8/h2-4,6H,1,5H2.
What are the key properties of 1-prop-2-enylpyrazole?
1-prop-2-enylpyrazole has a molecular weight of 108.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrazole is sourced from PubChem (CID 3489293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).