2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide

C10H15FN4O2 — CID 67230126

IUPAC2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(O)C2(N)CC(F)C2)n1
InChIInChI=1S/C10H15FN4O2/c1-15-3-2-7(14-15)13-9(17)8(16)10(12)4-6(11)5-10/h2-3,6,8,16H,4-5,12H2,1H3,(H,13,14,17)
InChIKeyMLKDMSZGVREFDX-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.45
Rot. Bonds3

About 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide

2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 67230126) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID67230126
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(O)C2(N)CC(F)C2)n1
InChIInChI=1S/C10H15FN4O2/c1-15-3-2-7(14-15)13-9(17)8(16)10(12)4-6(11)5-10/h2-3,6,8,16H,4-5,12H2,1H3,(H,13,14,17)
InChIKeyMLKDMSZGVREFDX-UHFFFAOYSA-N
XLogP-0.45
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide (CID 67230126) is 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)C(O)C2(N)CC(F)C2)n1.
What is the InChIKey of 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is MLKDMSZGVREFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-15-3-2-7(14-15)13-9(17)8(16)10(12)4-6(11)5-10/h2-3,6,8,16H,4-5,12H2,1H3,(H,13,14,17).
What are the key properties of 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide?
2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 242.25 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-fluorocyclobutyl)-2-hydroxy-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 67230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).