3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole

C8H12N2 — CID 143710821

IUPAC3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole
SMILESC=C1CNN=C1/C=C/CC
InChIInChI=1S/C8H12N2/c1-3-4-5-8-7(2)6-9-10-8/h4-5,9H,2-3,6H2,1H3/b5-4+
InChIKeyBZJPPPOLZFRBQH-SNAWJCMRSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds2

About 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole

3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole (PubChem CID 143710821) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole
PubChem CID143710821
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole
SMILESC=C1CNN=C1/C=C/CC
InChIInChI=1S/C8H12N2/c1-3-4-5-8-7(2)6-9-10-8/h4-5,9H,2-3,6H2,1H3/b5-4+
InChIKeyBZJPPPOLZFRBQH-SNAWJCMRSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole?
The IUPAC name of 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole (CID 143710821) is 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole.
What is the SMILES notation for 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole?
The canonical SMILES for 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole is C=C1CNN=C1/C=C/CC.
What is the InChIKey of 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole?
The InChIKey is BZJPPPOLZFRBQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-5-8-7(2)6-9-10-8/h4-5,9H,2-3,6H2,1H3/b5-4+.
What are the key properties of 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole?
3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole is sourced from PubChem (CID 143710821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).