5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine

C8H11N3 — CID 123932139

IUPAC5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine
SMILESC=C(C=CC)c1cc(N)n[nH]1
InChIInChI=1S/C8H11N3/c1-3-4-6(2)7-5-8(9)11-10-7/h3-5H,2H2,1H3,(H3,9,10,11)
InChIKeyHUHCJNLQAJEFOG-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.58
Rot. Bonds2

About 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine

5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine (PubChem CID 123932139) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine
PubChem CID123932139
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine
SMILESC=C(C=CC)c1cc(N)n[nH]1
InChIInChI=1S/C8H11N3/c1-3-4-6(2)7-5-8(9)11-10-7/h3-5H,2H2,1H3,(H3,9,10,11)
InChIKeyHUHCJNLQAJEFOG-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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-penta-1,3-dien-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine (CID 123932139) is 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine is C=C(C=CC)c1cc(N)n[nH]1.
What is the InChIKey of 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine?
The InChIKey is HUHCJNLQAJEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-6(2)7-5-8(9)11-10-7/h3-5H,2H2,1H3,(H3,9,10,11).
What are the key properties of 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine?
5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine has a molecular weight of 149.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 123932139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).