4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole

C7H12N2 — CID 121327275

IUPAC4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole
SMILESCC/C=C\C1C=NNC1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h3-5,7,9H,2,6H2,1H3/b4-3-
InChIKeyPEYKMFGWNRVUGP-ARJAWSKDSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole

4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole (PubChem CID 121327275) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole
PubChem CID121327275
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole
SMILESCC/C=C\C1C=NNC1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h3-5,7,9H,2,6H2,1H3/b4-3-
InChIKeyPEYKMFGWNRVUGP-ARJAWSKDSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole (CID 121327275) is 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole is CC/C=C\C1C=NNC1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is PEYKMFGWNRVUGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h3-5,7,9H,2,6H2,1H3/b4-3-.
What are the key properties of 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole?
4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 121327275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).