2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide

C8H13N3O2 — CID 112687554

IUPAC2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)13-5-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBVJRLUNKHZALJL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.77
Rot. Bonds4

About 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide

2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 112687554) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
PubChem CID112687554
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)13-5-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBVJRLUNKHZALJL-UHFFFAOYSA-N
XLogP0.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide (CID 112687554) is 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide is CC(C)OCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is BVJRLUNKHZALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)13-5-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide?
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112687554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).