4-hepta-2,4-dien-4-yl-1H-pyrazole

C10H14N2 — CID 91545774

IUPAC4-hepta-2,4-dien-4-yl-1H-pyrazole
SMILESCC=CC(=CCC)c1cn[nH]c1
InChIInChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-7-11-12-8-10/h3,5-8H,4H2,1-2H3,(H,11,12)
InChIKeyMKKUIVGWHRQKJX-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.78
Rot. Bonds3

About 4-hepta-2,4-dien-4-yl-1H-pyrazole

4-hepta-2,4-dien-4-yl-1H-pyrazole (PubChem CID 91545774) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-hepta-2,4-dien-4-yl-1H-pyrazole.

Molecular Properties

Compound Name4-hepta-2,4-dien-4-yl-1H-pyrazole
PubChem CID91545774
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-hepta-2,4-dien-4-yl-1H-pyrazole
SMILESCC=CC(=CCC)c1cn[nH]c1
InChIInChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-7-11-12-8-10/h3,5-8H,4H2,1-2H3,(H,11,12)
InChIKeyMKKUIVGWHRQKJX-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.78
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-hepta-2,4-dien-4-yl-1H-pyrazole?
The IUPAC name of 4-hepta-2,4-dien-4-yl-1H-pyrazole (CID 91545774) is 4-hepta-2,4-dien-4-yl-1H-pyrazole.
What is the SMILES notation for 4-hepta-2,4-dien-4-yl-1H-pyrazole?
The canonical SMILES for 4-hepta-2,4-dien-4-yl-1H-pyrazole is CC=CC(=CCC)c1cn[nH]c1.
What is the InChIKey of 4-hepta-2,4-dien-4-yl-1H-pyrazole?
The InChIKey is MKKUIVGWHRQKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-7-11-12-8-10/h3,5-8H,4H2,1-2H3,(H,11,12).
What are the key properties of 4-hepta-2,4-dien-4-yl-1H-pyrazole?
4-hepta-2,4-dien-4-yl-1H-pyrazole has a molecular weight of 162.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-2,4-dien-4-yl-1H-pyrazole is sourced from PubChem (CID 91545774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).