2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C16H20N4O — CID 115290593

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H20N4O/c1-20-10-13(9-18-20)15(17)16(21)19-14-7-6-11-4-2-3-5-12(11)8-14/h2-5,9-10,14-15H,6-8,17H2,1H3,(H,19,21)
InChIKeyJYYRXTJQQWZWDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 115290593) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID115290593
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H20N4O/c1-20-10-13(9-18-20)15(17)16(21)19-14-7-6-11-4-2-3-5-12(11)8-14/h2-5,9-10,14-15H,6-8,17H2,1H3,(H,19,21)
InChIKeyJYYRXTJQQWZWDB-UHFFFAOYSA-N
XLogP1.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 115290593) is 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is Cn1cc(C(N)C(=O)NC2CCc3ccccc3C2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is JYYRXTJQQWZWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-10-13(9-18-20)15(17)16(21)19-14-7-6-11-4-2-3-5-12(11)8-14/h2-5,9-10,14-15H,6-8,17H2,1H3,(H,19,21).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 115290593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).