4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one

C8H13N3O2 — CID 68845574

IUPAC4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one
SMILESCC(=O)C(C)(O)Cn1ccc(N)n1
InChIInChI=1S/C8H13N3O2/c1-6(12)8(2,13)5-11-4-3-7(9)10-11/h3-4,13H,5H2,1-2H3,(H2,9,10)
InChIKeyPMWUPONGBIURNH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.19
Rot. Bonds3

About 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one

4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one (PubChem CID 68845574) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one
PubChem CID68845574
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one
SMILESCC(=O)C(C)(O)Cn1ccc(N)n1
InChIInChI=1S/C8H13N3O2/c1-6(12)8(2,13)5-11-4-3-7(9)10-11/h3-4,13H,5H2,1-2H3,(H2,9,10)
InChIKeyPMWUPONGBIURNH-UHFFFAOYSA-N
XLogP-0.19
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one (CID 68845574) is 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one is CC(=O)C(C)(O)Cn1ccc(N)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one?
The InChIKey is PMWUPONGBIURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)8(2,13)5-11-4-3-7(9)10-11/h3-4,13H,5H2,1-2H3,(H2,9,10).
What are the key properties of 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one?
4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one is sourced from PubChem (CID 68845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).