5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine

C11H17N3 — CID 118614865

IUPAC5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
SMILESC/C=C/C(=C\C)c1c(N)n[nH]c1CC
InChIInChI=1S/C11H17N3/c1-4-7-8(5-2)10-9(6-3)13-14-11(10)12/h4-5,7H,6H2,1-3H3,(H3,12,13,14)/b7-4+,8-5+
InChIKeyHLUMSUPJHPUTAP-NSLJXJERSA-N
MW191.28 g/mol
LogP2.53
Rot. Bonds3

About 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine

5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine (PubChem CID 118614865) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
PubChem CID118614865
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
SMILESC/C=C/C(=C\C)c1c(N)n[nH]c1CC
InChIInChI=1S/C11H17N3/c1-4-7-8(5-2)10-9(6-3)13-14-11(10)12/h4-5,7H,6H2,1-3H3,(H3,12,13,14)/b7-4+,8-5+
InChIKeyHLUMSUPJHPUTAP-NSLJXJERSA-N
XLogP2.53
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 ≤ 52.53
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 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine (CID 118614865) is 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine is C/C=C/C(=C\C)c1c(N)n[nH]c1CC.
What is the InChIKey of 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine?
The InChIKey is HLUMSUPJHPUTAP-NSLJXJERSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-7-8(5-2)10-9(6-3)13-14-11(10)12/h4-5,7H,6H2,1-3H3,(H3,12,13,14)/b7-4+,8-5+.
What are the key properties of 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine?
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118614865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).