5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole

C8H14N2 — CID 139477941

IUPAC5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole
SMILESCC/C=C\C1=NN(C)CC1
InChIInChI=1S/C8H14N2/c1-3-4-5-8-6-7-10(2)9-8/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyKTRCECHASWRNID-PLNGDYQASA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole

5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole (PubChem CID 139477941) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole
PubChem CID139477941
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole
SMILESCC/C=C\C1=NN(C)CC1
InChIInChI=1S/C8H14N2/c1-3-4-5-8-6-7-10(2)9-8/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyKTRCECHASWRNID-PLNGDYQASA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-but-1-enyl]-2-methyl-3,4-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 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole (CID 139477941) is 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole is CC/C=C\C1=NN(C)CC1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole?
The InChIKey is KTRCECHASWRNID-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8-6-7-10(2)9-8/h4-5H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole?
5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 139477941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).