2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide

C12H20N4O2 — CID 86285216

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESCc1cc(N)n(CC(=O)NCC2CCCOC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-11(13)16(15-9)7-12(17)14-6-10-3-2-4-18-8-10/h5,10H,2-4,6-8,13H2,1H3,(H,14,17)
InChIKeyQMIGWRKXGRAARC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.32
Rot. Bonds4

About 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide (PubChem CID 86285216) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide
PubChem CID86285216
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESCc1cc(N)n(CC(=O)NCC2CCCOC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-11(13)16(15-9)7-12(17)14-6-10-3-2-4-18-8-10/h5,10H,2-4,6-8,13H2,1H3,(H,14,17)
InChIKeyQMIGWRKXGRAARC-UHFFFAOYSA-N
XLogP0.32
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide (CID 86285216) is 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide is Cc1cc(N)n(CC(=O)NCC2CCCOC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is QMIGWRKXGRAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-5-11(13)16(15-9)7-12(17)14-6-10-3-2-4-18-8-10/h5,10H,2-4,6-8,13H2,1H3,(H,14,17).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 86285216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).