3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine

C12H21N3O — CID 115971882

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2ccn[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-12(2,3)16-11-6-10(7-11)13-8-9-4-5-14-15-9/h4-5,10-11,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyHZQOQDFJBCCAGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine

3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine (PubChem CID 115971882) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
PubChem CID115971882
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2ccn[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-12(2,3)16-11-6-10(7-11)13-8-9-4-5-14-15-9/h4-5,10-11,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyHZQOQDFJBCCAGU-UHFFFAOYSA-N
XLogP1.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine (CID 115971882) is 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine is CC(C)(C)OC1CC(NCc2ccn[nH]2)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is HZQOQDFJBCCAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)16-11-6-10(7-11)13-8-9-4-5-14-15-9/h4-5,10-11,13H,6-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 115971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).