2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol

C11H19N3O — CID 103952229

IUPAC2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1cn[nH]c1
InChIInChI=1S/C11H19N3O/c1-7(8-5-12-13-6-8)14-9-4-10(15)11(9,2)3/h5-7,9-10,14-15H,4H2,1-3H3,(H,12,13)
InChIKeySRNSUGDHENKHKN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.22
Rot. Bonds3

About 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol (PubChem CID 103952229) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
PubChem CID103952229
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1cn[nH]c1
InChIInChI=1S/C11H19N3O/c1-7(8-5-12-13-6-8)14-9-4-10(15)11(9,2)3/h5-7,9-10,14-15H,4H2,1-3H3,(H,12,13)
InChIKeySRNSUGDHENKHKN-UHFFFAOYSA-N
XLogP1.22
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 64688767
3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
CID 64689147
2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 64723159
2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
CID 64723579
3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
CID 65167495
3-ethoxy-2-ethyl-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 65167591
3-ethoxy-N-(1H-pyrazol-4-ylmethyl)spiro[3.3]heptan-1-amine
CID 65294616
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 65971329
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66005167
4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}pentan-1-ol
CID 75356547
2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
CID 81418604
2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
CID 81418710

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol (CID 103952229) is 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol is CC(NC1CC(O)C1(C)C)c1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol?
The InChIKey is SRNSUGDHENKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(8-5-12-13-6-8)14-9-4-10(15)11(9,2)3/h5-7,9-10,14-15H,4H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 103952229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).