but-1-ene;4-methyl-1H-pyrazole

C8H14N2 — CID 67592737

IUPACbut-1-ene;4-methyl-1H-pyrazole
SMILESC=CCC.Cc1cn[nH]c1
InChIInChI=1S/C4H6N2.C4H8/c1-4-2-5-6-3-4;1-3-4-2/h2-3H,1H3,(H,5,6);3H,1,4H2,2H3
InChIKeyPGMYUDRBAWSNOU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About but-1-ene;4-methyl-1H-pyrazole

but-1-ene;4-methyl-1H-pyrazole (PubChem CID 67592737) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is but-1-ene;4-methyl-1H-pyrazole.

Molecular Properties

Compound Namebut-1-ene;4-methyl-1H-pyrazole
PubChem CID67592737
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namebut-1-ene;4-methyl-1H-pyrazole
SMILESC=CCC.Cc1cn[nH]c1
InChIInChI=1S/C4H6N2.C4H8/c1-4-2-5-6-3-4;1-3-4-2/h2-3H,1H3,(H,5,6);3H,1,4H2,2H3
InChIKeyPGMYUDRBAWSNOU-UHFFFAOYSA-N
XLogP2.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 but-1-ene;4-methyl-1H-pyrazole?
The IUPAC name of but-1-ene;4-methyl-1H-pyrazole (CID 67592737) is but-1-ene;4-methyl-1H-pyrazole.
What is the SMILES notation for but-1-ene;4-methyl-1H-pyrazole?
The canonical SMILES for but-1-ene;4-methyl-1H-pyrazole is C=CCC.Cc1cn[nH]c1.
What is the InChIKey of but-1-ene;4-methyl-1H-pyrazole?
The InChIKey is PGMYUDRBAWSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H8/c1-4-2-5-6-3-4;1-3-4-2/h2-3H,1H3,(H,5,6);3H,1,4H2,2H3.
What are the key properties of but-1-ene;4-methyl-1H-pyrazole?
but-1-ene;4-methyl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;4-methyl-1H-pyrazole is sourced from PubChem (CID 67592737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).