4-[(E)-but-1-enyl]-1-methylpyrazole

C8H12N2 — CID 121278060

IUPAC4-[(E)-but-1-enyl]-1-methylpyrazole
SMILESCC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-3-4-5-8-6-9-10(2)7-8/h4-7H,3H2,1-2H3/b5-4+
InChIKeyJIAVRNZBHPSTSR-SNAWJCMRSA-N
MW136.20 g/mol
LogP1.84
Rot. Bonds2

About 4-[(E)-but-1-enyl]-1-methylpyrazole

4-[(E)-but-1-enyl]-1-methylpyrazole (PubChem CID 121278060) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-1-methylpyrazole
PubChem CID121278060
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-[(E)-but-1-enyl]-1-methylpyrazole
SMILESCC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-3-4-5-8-6-9-10(2)7-8/h4-7H,3H2,1-2H3/b5-4+
InChIKeyJIAVRNZBHPSTSR-SNAWJCMRSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-1-methylpyrazole?
The IUPAC name of 4-[(E)-but-1-enyl]-1-methylpyrazole (CID 121278060) is 4-[(E)-but-1-enyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(E)-but-1-enyl]-1-methylpyrazole?
The canonical SMILES for 4-[(E)-but-1-enyl]-1-methylpyrazole is CC/C=C/c1cnn(C)c1.
What is the InChIKey of 4-[(E)-but-1-enyl]-1-methylpyrazole?
The InChIKey is JIAVRNZBHPSTSR-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-5-8-6-9-10(2)7-8/h4-7H,3H2,1-2H3/b5-4+.
What are the key properties of 4-[(E)-but-1-enyl]-1-methylpyrazole?
4-[(E)-but-1-enyl]-1-methylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-1-methylpyrazole is sourced from PubChem (CID 121278060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).