N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide

C10H15N3O3 — CID 166528322

IUPACN-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide
SMILES[2H]C([2H])([2H])n1cc(NC=O)c(OC2CCC2(C)O)n1
InChIInChI=1S/C10H15N3O3/c1-10(15)4-3-8(10)16-9-7(11-6-14)5-13(2)12-9/h5-6,8,15H,3-4H2,1-2H3,(H,11,14)/i2D3
InChIKeySGTBLIDOKCCUEG-BMSJAHLVSA-N
MW228.27 g/mol
LogP0.28
Rot. Bonds5

About N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide

N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide (PubChem CID 166528322) has the molecular formula C10H15N3O3 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide
PubChem CID166528322
Molecular FormulaC10H15N3O3
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC NameN-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide
SMILES[2H]C([2H])([2H])n1cc(NC=O)c(OC2CCC2(C)O)n1
InChIInChI=1S/C10H15N3O3/c1-10(15)4-3-8(10)16-9-7(11-6-14)5-13(2)12-9/h5-6,8,15H,3-4H2,1-2H3,(H,11,14)/i2D3
InChIKeySGTBLIDOKCCUEG-BMSJAHLVSA-N
XLogP0.28
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide 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 N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide?
The IUPAC name of N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide (CID 166528322) is N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide?
The canonical SMILES for N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide is [2H]C([2H])([2H])n1cc(NC=O)c(OC2CCC2(C)O)n1.
What is the InChIKey of N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide?
The InChIKey is SGTBLIDOKCCUEG-BMSJAHLVSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(15)4-3-8(10)16-9-7(11-6-14)5-13(2)12-9/h5-6,8,15H,3-4H2,1-2H3,(H,11,14)/i2D3.
What are the key properties of N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide?
N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide has a molecular weight of 228.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxy-2-methylcyclobutyl)oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide is sourced from PubChem (CID 166528322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).