5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine

C14H15N3 — CID 114159914

IUPAC5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine
SMILESNCCCC#Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3/c15-10-6-2-3-7-13-11-16-17(12-13)14-8-4-1-5-9-14/h1,4-5,8-9,11-12H,2,6,10,15H2
InChIKeyHJGUSCHVVRKLBA-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.96
Rot. Bonds3

About 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine

5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine (PubChem CID 114159914) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine
PubChem CID114159914
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine
SMILESNCCCC#Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3/c15-10-6-2-3-7-13-11-16-17(12-13)14-8-4-1-5-9-14/h1,4-5,8-9,11-12H,2,6,10,15H2
InChIKeyHJGUSCHVVRKLBA-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine?
The IUPAC name of 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine (CID 114159914) is 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine?
The canonical SMILES for 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine is NCCCC#Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine?
The InChIKey is HJGUSCHVVRKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-10-6-2-3-7-13-11-16-17(12-13)14-8-4-1-5-9-14/h1,4-5,8-9,11-12H,2,6,10,15H2.
What are the key properties of 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine?
5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine has a molecular weight of 225.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine is sourced from PubChem (CID 114159914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).