1-pent-4-enyl-3-phenylpyrazol-5-amine

C14H17N3 — CID 155268730

IUPAC1-pent-4-enyl-3-phenylpyrazol-5-amine
SMILESC=CCCCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C14H17N3/c1-2-3-7-10-17-14(15)11-13(16-17)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10,15H2
InChIKeyLJRJYXBIYLQTCV-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.10
Rot. Bonds5

About 1-pent-4-enyl-3-phenylpyrazol-5-amine

1-pent-4-enyl-3-phenylpyrazol-5-amine (PubChem CID 155268730) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-pent-4-enyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-pent-4-enyl-3-phenylpyrazol-5-amine
PubChem CID155268730
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-pent-4-enyl-3-phenylpyrazol-5-amine
SMILESC=CCCCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C14H17N3/c1-2-3-7-10-17-14(15)11-13(16-17)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10,15H2
InChIKeyLJRJYXBIYLQTCV-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-pent-4-enyl-3-phenylpyrazol-5-amine (CID 155268730) is 1-pent-4-enyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-pent-4-enyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-pent-4-enyl-3-phenylpyrazol-5-amine is C=CCCCn1nc(-c2ccccc2)cc1N.
What is the InChIKey of 1-pent-4-enyl-3-phenylpyrazol-5-amine?
The InChIKey is LJRJYXBIYLQTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-7-10-17-14(15)11-13(16-17)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10,15H2.
What are the key properties of 1-pent-4-enyl-3-phenylpyrazol-5-amine?
1-pent-4-enyl-3-phenylpyrazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 155268730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).