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

C9H11N3 — CID 144934454

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine
SMILESC=C/C=C\c1c(N)n[nH]c1C=C
InChIInChI=1S/C9H11N3/c1-3-5-6-7-8(4-2)11-12-9(7)10/h3-6H,1-2H2,(H3,10,11,12)/b6-5-
InChIKeyOSWLVEKWQUFMSA-WAYWQWQTSA-N
MW161.21 g/mol
LogP1.83
Rot. Bonds3

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

4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine (PubChem CID 144934454) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine
PubChem CID144934454
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine
SMILESC=C/C=C\c1c(N)n[nH]c1C=C
InChIInChI=1S/C9H11N3/c1-3-5-6-7-8(4-2)11-12-9(7)10/h3-6H,1-2H2,(H3,10,11,12)/b6-5-
InChIKeyOSWLVEKWQUFMSA-WAYWQWQTSA-N
XLogP1.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.83
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-ethenyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine (CID 144934454) is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine is C=C/C=C\c1c(N)n[nH]c1C=C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine?
The InChIKey is OSWLVEKWQUFMSA-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-5-6-7-8(4-2)11-12-9(7)10/h3-6H,1-2H2,(H3,10,11,12)/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine?
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine has a molecular weight of 161.21 g/mol, XLogP of 1.83, 3 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-ethenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 144934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).