1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole

C14H14N2 — CID 135061835

IUPAC1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole
SMILESC/C=C(/C=C/n1cccn1)c1ccccc1
InChIInChI=1S/C14H14N2/c1-2-13(14-7-4-3-5-8-14)9-12-16-11-6-10-15-16/h2-12H,1H3/b12-9+,13-2-
InChIKeyKULOTNFARSZVMV-ZELPFCKUSA-N
MW210.28 g/mol
LogP3.46
Rot. Bonds3

About 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole

1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole (PubChem CID 135061835) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole.

Molecular Properties

Compound Name1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole
PubChem CID135061835
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole
SMILESC/C=C(/C=C/n1cccn1)c1ccccc1
InChIInChI=1S/C14H14N2/c1-2-13(14-7-4-3-5-8-14)9-12-16-11-6-10-15-16/h2-12H,1H3/b12-9+,13-2-
InChIKeyKULOTNFARSZVMV-ZELPFCKUSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole?
The IUPAC name of 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole (CID 135061835) is 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole.
What is the SMILES notation for 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole?
The canonical SMILES for 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole is C/C=C(/C=C/n1cccn1)c1ccccc1.
What is the InChIKey of 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole?
The InChIKey is KULOTNFARSZVMV-ZELPFCKUSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-13(14-7-4-3-5-8-14)9-12-16-11-6-10-15-16/h2-12H,1H3/b12-9+,13-2-.
What are the key properties of 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole?
1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole has a molecular weight of 210.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole is sourced from PubChem (CID 135061835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).