5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane

C16H31N3 — CID 143609990

IUPAC5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane
SMILESC=C/C=C\c1[nH]nc(N(C)CC)c1CC.CC.CC
InChIInChI=1S/C12H19N3.2C2H6/c1-5-8-9-11-10(6-2)12(14-13-11)15(4)7-3;2*1-2/h5,8-9H,1,6-7H2,2-4H3,(H,13,14);2*1-2H3/b9-8-;;
InChIKeyIJIOJXPFOULROE-ULDSSAIZSA-N
MW265.44 g/mol
LogP4.68
Rot. Bonds5

About 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane

5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane (PubChem CID 143609990) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane
PubChem CID143609990
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane
SMILESC=C/C=C\c1[nH]nc(N(C)CC)c1CC.CC.CC
InChIInChI=1S/C12H19N3.2C2H6/c1-5-8-9-11-10(6-2)12(14-13-11)15(4)7-3;2*1-2/h5,8-9H,1,6-7H2,2-4H3,(H,13,14);2*1-2H3/b9-8-;;
InChIKeyIJIOJXPFOULROE-ULDSSAIZSA-N
XLogP4.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane 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-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane (CID 143609990) is 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane is C=C/C=C\c1[nH]nc(N(C)CC)c1CC.CC.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane?
The InChIKey is IJIOJXPFOULROE-ULDSSAIZSA-N. The full InChI is InChI=1S/C12H19N3.2C2H6/c1-5-8-9-11-10(6-2)12(14-13-11)15(4)7-3;2*1-2/h5,8-9H,1,6-7H2,2-4H3,(H,13,14);2*1-2H3/b9-8-;;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane?
5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane has a molecular weight of 265.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane is sourced from PubChem (CID 143609990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).