2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide

C15H20N4O — CID 143256407

IUPAC2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
SMILESCCCCc1cc(N)n(-c2cccc(CC(N)=O)c2)n1
InChIInChI=1S/C15H20N4O/c1-2-3-6-12-10-14(16)19(18-12)13-7-4-5-11(8-13)9-15(17)20/h4-5,7-8,10H,2-3,6,9,16H2,1H3,(H2,17,20)
InChIKeyXDKKGARESBLJBQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide

2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide (PubChem CID 143256407) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
PubChem CID143256407
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
SMILESCCCCc1cc(N)n(-c2cccc(CC(N)=O)c2)n1
InChIInChI=1S/C15H20N4O/c1-2-3-6-12-10-14(16)19(18-12)13-7-4-5-11(8-13)9-15(17)20/h4-5,7-8,10H,2-3,6,9,16H2,1H3,(H2,17,20)
InChIKeyXDKKGARESBLJBQ-UHFFFAOYSA-N
XLogP1.82
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide (CID 143256407) is 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide is CCCCc1cc(N)n(-c2cccc(CC(N)=O)c2)n1.
What is the InChIKey of 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is XDKKGARESBLJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-6-12-10-14(16)19(18-12)13-7-4-5-11(8-13)9-15(17)20/h4-5,7-8,10H,2-3,6,9,16H2,1H3,(H2,17,20).
What are the key properties of 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide?
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 143256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).