1-propa-1,2-dienylpyrazole

C6H6N2 — CID 14787049

IUPAC1-propa-1,2-dienylpyrazole
SMILESC=C=Cn1cccn1
InChIInChI=1S/C6H6N2/c1-2-5-8-6-3-4-7-8/h3-6H,1H2
InChIKeyFBENTRZWXVNLAK-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.14
Rot. Bonds1

About 1-propa-1,2-dienylpyrazole

1-propa-1,2-dienylpyrazole (PubChem CID 14787049) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 1-propa-1,2-dienylpyrazole.

Molecular Properties

Compound Name1-propa-1,2-dienylpyrazole
PubChem CID14787049
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name1-propa-1,2-dienylpyrazole
SMILESC=C=Cn1cccn1
InChIInChI=1S/C6H6N2/c1-2-5-8-6-3-4-7-8/h3-6H,1H2
InChIKeyFBENTRZWXVNLAK-UHFFFAOYSA-N
XLogP1.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienylpyrazole?
The IUPAC name of 1-propa-1,2-dienylpyrazole (CID 14787049) is 1-propa-1,2-dienylpyrazole.
What is the SMILES notation for 1-propa-1,2-dienylpyrazole?
The canonical SMILES for 1-propa-1,2-dienylpyrazole is C=C=Cn1cccn1.
What is the InChIKey of 1-propa-1,2-dienylpyrazole?
The InChIKey is FBENTRZWXVNLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-5-8-6-3-4-7-8/h3-6H,1H2.
What are the key properties of 1-propa-1,2-dienylpyrazole?
1-propa-1,2-dienylpyrazole has a molecular weight of 106.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienylpyrazole is sourced from PubChem (CID 14787049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).