3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole

C9H14N2 — CID 118358873

IUPAC3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole
SMILESC/C=C/C1=NNC(/C=C/C)C1
InChIInChI=1S/C9H14N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-6,8,10H,7H2,1-2H3/b5-3+,6-4+
InChIKeyJVOXLFLSGVUUOE-GGWOSOGESA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole

3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole (PubChem CID 118358873) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole
PubChem CID118358873
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole
SMILESC/C=C/C1=NNC(/C=C/C)C1
InChIInChI=1S/C9H14N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-6,8,10H,7H2,1-2H3/b5-3+,6-4+
InChIKeyJVOXLFLSGVUUOE-GGWOSOGESA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
CID 162583468
5-ethenyl-3-methyl-4,5-dihydro-1H-pyrazole
CID 21649606
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-4,5-dihydro-1H-pyrazole
CID 89729972
3,6-Dimethyl-1,6-dihydropyridazine
CID 123413461
(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole
CID 138478028
6-Ethyl-3-methyl-1,6-dihydropyridazine;propane
CID 144998160
ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-4,5-dihydro-1H-pyrazole
CID 145045721
3,6-Dimethyl-1,6-dihydropyridazine;ethane
CID 145193090
(4E)-4-[(2Z)-hexa-2,5-dienylidene]-3-methyl-1,5-dihydropyrazole
CID 146429483
2-Methyl-1,7a-dihydrobenzotriazole
CID 146640554
6-Methyl-3-propan-2-yl-1,6-dihydropyridazine
CID 147922005
(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine
CID 155000646

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole (CID 118358873) is 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole is C/C=C/C1=NNC(/C=C/C)C1.
What is the InChIKey of 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is JVOXLFLSGVUUOE-GGWOSOGESA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-6,8,10H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole?
3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-prop-1-enyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 118358873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).