5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine

C17H25N3 — CID 62771348

IUPAC5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-2-11-18-12-7-4-8-13-20-15-17(14-19-20)16-9-5-3-6-10-16/h3,5-6,9-10,14-15,18H,2,4,7-8,11-13H2,1H3
InChIKeyFFVDJHIEXWFWTC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds9

About 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine

5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine (PubChem CID 62771348) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
PubChem CID62771348
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-2-11-18-12-7-4-8-13-20-15-17(14-19-20)16-9-5-3-6-10-16/h3,5-6,9-10,14-15,18H,2,4,7-8,11-13H2,1H3
InChIKeyFFVDJHIEXWFWTC-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine (CID 62771348) is 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine is CCCNCCCCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The InChIKey is FFVDJHIEXWFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-11-18-12-7-4-8-13-20-15-17(14-19-20)16-9-5-3-6-10-16/h3,5-6,9-10,14-15,18H,2,4,7-8,11-13H2,1H3.
What are the key properties of 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 62771348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).