1-[(E)-but-2-enyl]pyrazole

C7H10N2 — CID 12591946

IUPAC1-[(E)-but-2-enyl]pyrazole
SMILESC/C=C/Cn1cccn1
InChIInChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8-9/h2-5,7H,6H2,1H3/b3-2+
InChIKeySWLBGQXORGNVQB-NSCUHMNNSA-N
MW122.17 g/mol
LogP1.46
Rot. Bonds2

About 1-[(E)-but-2-enyl]pyrazole

1-[(E)-but-2-enyl]pyrazole (PubChem CID 12591946) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]pyrazole
PubChem CID12591946
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-[(E)-but-2-enyl]pyrazole
SMILESC/C=C/Cn1cccn1
InChIInChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8-9/h2-5,7H,6H2,1H3/b3-2+
InChIKeySWLBGQXORGNVQB-NSCUHMNNSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1-(2-Hydroxyethyl)-1H-pyrazole
CID 237031
1-(trifluoromethyl)-1H-pyrazole
CID 18981687
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1H-Pyrazole, 1-methyl-
CID 70255
1,5-Dimethylpyrazole
CID 136502
1,4-Dimethylpyrazole
CID 136836
1-Ethylpyrazole
CID 498446
1-(2-bromoethyl)-1H-pyrazole
CID 642215
Pyrazol-1-yl-methanol
CID 242224
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]pyrazole?
The IUPAC name of 1-[(E)-but-2-enyl]pyrazole (CID 12591946) is 1-[(E)-but-2-enyl]pyrazole.
What is the SMILES notation for 1-[(E)-but-2-enyl]pyrazole?
The canonical SMILES for 1-[(E)-but-2-enyl]pyrazole is C/C=C/Cn1cccn1.
What is the InChIKey of 1-[(E)-but-2-enyl]pyrazole?
The InChIKey is SWLBGQXORGNVQB-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8-9/h2-5,7H,6H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]pyrazole?
1-[(E)-but-2-enyl]pyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]pyrazole is sourced from PubChem (CID 12591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).