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

C10H18N2 — CID 177039427

IUPAC4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
SMILESCC.CC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H12N2.C2H6/c1-3-4-5-8-6-9-10(2)7-8;1-2/h4-7H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyUQLLMXIOGORMPQ-FXRZFVDSSA-N
MW166.27 g/mol
LogP2.87
Rot. Bonds2

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

4-[(E)-but-1-enyl]-1-methylpyrazole;ethane (PubChem CID 177039427) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
PubChem CID177039427
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
SMILESCC.CC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H12N2.C2H6/c1-3-4-5-8-6-9-10(2)7-8;1-2/h4-7H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyUQLLMXIOGORMPQ-FXRZFVDSSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.87
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;ethane?
The IUPAC name of 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane (CID 177039427) is 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane.
What is the SMILES notation for 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane?
The canonical SMILES for 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane is CC.CC/C=C/c1cnn(C)c1.
What is the InChIKey of 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane?
The InChIKey is UQLLMXIOGORMPQ-FXRZFVDSSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-4-5-8-6-9-10(2)7-8;1-2/h4-7H,3H2,1-2H3;1-2H3/b5-4+;.
What are the key properties of 4-[(E)-but-1-enyl]-1-methylpyrazole;ethane?
4-[(E)-but-1-enyl]-1-methylpyrazole;ethane has a molecular weight of 166.27 g/mol, XLogP of 2.87, 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;ethane is sourced from PubChem (CID 177039427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).