3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine

C12H21N3O — CID 112553202

IUPAC3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)Cn2cccn2)C1
InChIInChI=1S/C12H21N3O/c1-3-16-12-7-11(8-12)14-10(2)9-15-6-4-5-13-15/h4-6,10-12,14H,3,7-9H2,1-2H3
InChIKeyNJJYZYJBPFECEX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine

3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 112553202) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID112553202
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)Cn2cccn2)C1
InChIInChI=1S/C12H21N3O/c1-3-16-12-7-11(8-12)14-10(2)9-15-6-4-5-13-15/h4-6,10-12,14H,3,7-9H2,1-2H3
InChIKeyNJJYZYJBPFECEX-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(1H-pyrazol-1-yl)cyclobutan-1-ol dihydrochloride
CID 121553839
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
rac-(1R,2R,3S)-3-amino-2-(1H-pyrazol-1-yl)cyclobutan-1-ol
CID 122164134
(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
CID 135132851
(2R,3S)-4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
CID 135133191
(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
CID 135138416
1-[3-(Trifluoromethoxy)cyclobutyl]pyrazole
CID 173826498
1-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 53524069
1-pyrazol-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54962284
N-(2-pyrazol-1-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962285
1-pyrazol-1-yl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65804727

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine (CID 112553202) is 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine is CCOC1CC(NC(C)Cn2cccn2)C1.
What is the InChIKey of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is NJJYZYJBPFECEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-16-12-7-11(8-12)14-10(2)9-15-6-4-5-13-15/h4-6,10-12,14H,3,7-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 112553202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).