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

C8H11N3 — CID 129071759

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
SMILESC=C/C=C\c1c(N)n[nH]c1C
InChIInChI=1S/C8H11N3/c1-3-4-5-7-6(2)10-11-8(7)9/h3-5H,1H2,2H3,(H3,9,10,11)/b5-4-
InChIKeyJGSIAISKNMYFLG-PLNGDYQASA-N
MW149.20 g/mol
LogP1.50
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine (PubChem CID 129071759) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
PubChem CID129071759
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
SMILESC=C/C=C\c1c(N)n[nH]c1C
InChIInChI=1S/C8H11N3/c1-3-4-5-7-6(2)10-11-8(7)9/h3-5H,1H2,2H3,(H3,9,10,11)/b5-4-
InChIKeyJGSIAISKNMYFLG-PLNGDYQASA-N
XLogP1.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine (CID 129071759) is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine is C=C/C=C\c1c(N)n[nH]c1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine?
The InChIKey is JGSIAISKNMYFLG-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-5-7-6(2)10-11-8(7)9/h3-5H,1H2,2H3,(H3,9,10,11)/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine?
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine has a molecular weight of 149.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 129071759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).