1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine

C10H17N3 — CID 105153472

IUPAC1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cnn(C)c1C
InChIInChI=1S/C10H17N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h4,7,10H,1,5-6,11H2,2-3H3
InChIKeyALTFIYJIPPMMNP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.69
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine

1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine (PubChem CID 105153472) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
PubChem CID105153472
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cnn(C)c1C
InChIInChI=1S/C10H17N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h4,7,10H,1,5-6,11H2,2-3H3
InChIKeyALTFIYJIPPMMNP-UHFFFAOYSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine (CID 105153472) is 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine is C=CCCC(N)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine?
The InChIKey is ALTFIYJIPPMMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h4,7,10H,1,5-6,11H2,2-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine?
1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).