1,2,5-tris(prop-2-enyl)-3H-pyrazole

C12H18N2 — CID 67289211

IUPAC1,2,5-tris(prop-2-enyl)-3H-pyrazole
SMILESC=CCC1=CCN(CC=C)N1CC=C
InChIInChI=1S/C12H18N2/c1-4-7-12-8-11-13(9-5-2)14(12)10-6-3/h4-6,8H,1-3,7,9-11H2
InChIKeyVVXJTOBRDLINSW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.35
Rot. Bonds6

About 1,2,5-tris(prop-2-enyl)-3H-pyrazole

1,2,5-tris(prop-2-enyl)-3H-pyrazole (PubChem CID 67289211) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,2,5-tris(prop-2-enyl)-3H-pyrazole.

Molecular Properties

Compound Name1,2,5-tris(prop-2-enyl)-3H-pyrazole
PubChem CID67289211
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2,5-tris(prop-2-enyl)-3H-pyrazole
SMILESC=CCC1=CCN(CC=C)N1CC=C
InChIInChI=1S/C12H18N2/c1-4-7-12-8-11-13(9-5-2)14(12)10-6-3/h4-6,8H,1-3,7,9-11H2
InChIKeyVVXJTOBRDLINSW-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.35
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 1,2,5-tris(prop-2-enyl)-3H-pyrazole?
The IUPAC name of 1,2,5-tris(prop-2-enyl)-3H-pyrazole (CID 67289211) is 1,2,5-tris(prop-2-enyl)-3H-pyrazole.
What is the SMILES notation for 1,2,5-tris(prop-2-enyl)-3H-pyrazole?
The canonical SMILES for 1,2,5-tris(prop-2-enyl)-3H-pyrazole is C=CCC1=CCN(CC=C)N1CC=C.
What is the InChIKey of 1,2,5-tris(prop-2-enyl)-3H-pyrazole?
The InChIKey is VVXJTOBRDLINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-7-12-8-11-13(9-5-2)14(12)10-6-3/h4-6,8H,1-3,7,9-11H2.
What are the key properties of 1,2,5-tris(prop-2-enyl)-3H-pyrazole?
1,2,5-tris(prop-2-enyl)-3H-pyrazole has a molecular weight of 190.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tris(prop-2-enyl)-3H-pyrazole is sourced from PubChem (CID 67289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).