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'}

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Related Compounds

N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide
CID 166513218
N-[1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide
CID 166513287
N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
CID 166513342
N-[3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]formamide
CID 166513397
N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane
CID 166528298
N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
CID 175819576
N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide
CID 175819606
N-[3-[(2S,3R)-2-methyloxetan-3-yl]oxy-1-(trideuteriomethyl)pyrazol-4-yl]formamide
CID 166513179
N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
CID 166513197
N-[3-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-1-methylpyrazol-4-yl]formamide
CID 166513206
N-[1-methyl-3-[(2S,3R)-2-methyloxetan-3-yl]oxypyrazol-4-yl]formamide
CID 166513210
3-[(2R,3S)-2-methyloxetan-3-yl]oxy-1-(trideuteriomethyl)pyrazol-4-amine
CID 166513213

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).