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

C11H17N3 — CID 144934453

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane
SMILESC=C/C=C\c1c(N)n[nH]c1C=C.CC
InChIInChI=1S/C9H11N3.C2H6/c1-3-5-6-7-8(4-2)11-12-9(7)10;1-2/h3-6H,1-2H2,(H3,10,11,12);1-2H3/b6-5-;
InChIKeyPRHCYRIMCINQNF-YSMBQZINSA-N
MW191.28 g/mol
LogP2.86
Rot. Bonds3

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

4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane (PubChem CID 144934453) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane
PubChem CID144934453
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane
SMILESC=C/C=C\c1c(N)n[nH]c1C=C.CC
InChIInChI=1S/C9H11N3.C2H6/c1-3-5-6-7-8(4-2)11-12-9(7)10;1-2/h3-6H,1-2H2,(H3,10,11,12);1-2H3/b6-5-;
InChIKeyPRHCYRIMCINQNF-YSMBQZINSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.86
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;ethane?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane (CID 144934453) is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane is C=C/C=C\c1c(N)n[nH]c1C=C.CC.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane?
The InChIKey is PRHCYRIMCINQNF-YSMBQZINSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-3-5-6-7-8(4-2)11-12-9(7)10;1-2/h3-6H,1-2H2,(H3,10,11,12);1-2H3/b6-5-;.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane?
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1H-pyrazol-3-amine;ethane has a molecular weight of 191.28 g/mol, XLogP of 2.86, 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;ethane is sourced from PubChem (CID 144934453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).