3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine

C16H21N3O — CID 115903723

IUPAC3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3O/c1-2-20-15-10-14(11-15)17-12-13-6-3-4-7-16(13)19-9-5-8-18-19/h3-9,14-15,17H,2,10-12H2,1H3
InChIKeyOIBVTMOEEBQDAS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.53
Rot. Bonds6

About 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine (PubChem CID 115903723) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
PubChem CID115903723
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3O/c1-2-20-15-10-14(11-15)17-12-13-6-3-4-7-16(13)19-9-5-8-18-19/h3-9,14-15,17H,2,10-12H2,1H3
InChIKeyOIBVTMOEEBQDAS-UHFFFAOYSA-N
XLogP2.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine (CID 115903723) is 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2ccccc2-n2cccn2)C1.
What is the InChIKey of 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is OIBVTMOEEBQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15-10-14(11-15)17-12-13-6-3-4-7-16(13)19-9-5-8-18-19/h3-9,14-15,17H,2,10-12H2,1H3.
What are the key properties of 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115903723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).