N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide

C18H20N4O — CID 166252631

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cncc3ccccc23)n[nH]1
InChIInChI=1S/C18H20N4O/c1-18(2,3)15-9-16(22-21-15)20-17(23)8-13-11-19-10-12-6-4-5-7-14(12)13/h4-7,9-11H,8H2,1-3H3,(H2,20,21,22,23)
InChIKeyVDJJLYMBZNOJNH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide (PubChem CID 166252631) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide
PubChem CID166252631
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cncc3ccccc23)n[nH]1
InChIInChI=1S/C18H20N4O/c1-18(2,3)15-9-16(22-21-15)20-17(23)8-13-11-19-10-12-6-4-5-7-14(12)13/h4-7,9-11H,8H2,1-3H3,(H2,20,21,22,23)
InChIKeyVDJJLYMBZNOJNH-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 115603580
N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
CID 57044297
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60551609
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide (CID 166252631) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide is CC(C)(C)c1cc(NC(=O)Cc2cncc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide?
The InChIKey is VDJJLYMBZNOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)15-9-16(22-21-15)20-17(23)8-13-11-19-10-12-6-4-5-7-14(12)13/h4-7,9-11H,8H2,1-3H3,(H2,20,21,22,23).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide is sourced from PubChem (CID 166252631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).