2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide

C17H24N4O — CID 177376631

IUPAC2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4O/c18-14-17(22)19-11-6-1-2-7-12-21-13-10-16(20-21)15-8-4-3-5-9-15/h3-5,8-10,13H,1-2,6-7,11-12,14,18H2,(H,19,22)
InChIKeyBRODOXNSJBBCDX-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.19
Rot. Bonds9

About 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide

2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide (PubChem CID 177376631) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide
PubChem CID177376631
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4O/c18-14-17(22)19-11-6-1-2-7-12-21-13-10-16(20-21)15-8-4-3-5-9-15/h3-5,8-10,13H,1-2,6-7,11-12,14,18H2,(H,19,22)
InChIKeyBRODOXNSJBBCDX-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide?
The IUPAC name of 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide (CID 177376631) is 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide is NCC(=O)NCCCCCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide?
The InChIKey is BRODOXNSJBBCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c18-14-17(22)19-11-6-1-2-7-12-21-13-10-16(20-21)15-8-4-3-5-9-15/h3-5,8-10,13H,1-2,6-7,11-12,14,18H2,(H,19,22).
What are the key properties of 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide?
2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(3-phenylpyrazol-1-yl)hexyl]acetamide is sourced from PubChem (CID 177376631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).