4-penta-1,3-dien-2-yl-1H-pyrazole

C8H10N2 — CID 123880158

IUPAC4-penta-1,3-dien-2-yl-1H-pyrazole
SMILESC=C(C=CC)c1cn[nH]c1
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10)
InChIKeySFUQPURFZHUHTK-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.00
Rot. Bonds2

About 4-penta-1,3-dien-2-yl-1H-pyrazole

4-penta-1,3-dien-2-yl-1H-pyrazole (PubChem CID 123880158) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-penta-1,3-dien-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-penta-1,3-dien-2-yl-1H-pyrazole
PubChem CID123880158
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-penta-1,3-dien-2-yl-1H-pyrazole
SMILESC=C(C=CC)c1cn[nH]c1
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10)
InChIKeySFUQPURFZHUHTK-UHFFFAOYSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-penta-1,3-dien-2-yl-1H-pyrazole?
The IUPAC name of 4-penta-1,3-dien-2-yl-1H-pyrazole (CID 123880158) is 4-penta-1,3-dien-2-yl-1H-pyrazole.
What is the SMILES notation for 4-penta-1,3-dien-2-yl-1H-pyrazole?
The canonical SMILES for 4-penta-1,3-dien-2-yl-1H-pyrazole is C=C(C=CC)c1cn[nH]c1.
What is the InChIKey of 4-penta-1,3-dien-2-yl-1H-pyrazole?
The InChIKey is SFUQPURFZHUHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10).
What are the key properties of 4-penta-1,3-dien-2-yl-1H-pyrazole?
4-penta-1,3-dien-2-yl-1H-pyrazole has a molecular weight of 134.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,3-dien-2-yl-1H-pyrazole is sourced from PubChem (CID 123880158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).