2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide

C9H16N4O2 — CID 83176621

IUPAC2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
SMILESCC(CCO)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H16N4O2/c1-7(3-5-14)11-9(15)6-13-4-2-8(10)12-13/h2,4,7,14H,3,5-6H2,1H3,(H2,10,12)(H,11,15)
InChIKeyUDSNFQPNOVSDBK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.65
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide

2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide (PubChem CID 83176621) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
PubChem CID83176621
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
SMILESCC(CCO)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H16N4O2/c1-7(3-5-14)11-9(15)6-13-4-2-8(10)12-13/h2,4,7,14H,3,5-6H2,1H3,(H2,10,12)(H,11,15)
InChIKeyUDSNFQPNOVSDBK-UHFFFAOYSA-N
XLogP-0.65
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide (CID 83176621) is 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide is CC(CCO)NC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The InChIKey is UDSNFQPNOVSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(3-5-14)11-9(15)6-13-4-2-8(10)12-13/h2,4,7,14H,3,5-6H2,1H3,(H2,10,12)(H,11,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 83176621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).