N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine

C16H21N3O — CID 141401720

IUPACN-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine
SMILESCN(CCC(c1ccccc1)n1cccn1)C1COC1
InChIInChI=1S/C16H21N3O/c1-18(15-12-20-13-15)11-8-16(19-10-5-9-17-19)14-6-3-2-4-7-14/h2-7,9-10,15-16H,8,11-13H2,1H3
InChIKeyBEBAWTATHUJDEK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine

N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine (PubChem CID 141401720) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine
PubChem CID141401720
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine
SMILESCN(CCC(c1ccccc1)n1cccn1)C1COC1
InChIInChI=1S/C16H21N3O/c1-18(15-12-20-13-15)11-8-16(19-10-5-9-17-19)14-6-3-2-4-7-14/h2-7,9-10,15-16H,8,11-13H2,1H3
InChIKeyBEBAWTATHUJDEK-UHFFFAOYSA-N
XLogP2.19
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine?
The IUPAC name of N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine (CID 141401720) is N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine.
What is the SMILES notation for N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine?
The canonical SMILES for N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine is CN(CCC(c1ccccc1)n1cccn1)C1COC1.
What is the InChIKey of N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine?
The InChIKey is BEBAWTATHUJDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(15-12-20-13-15)11-8-16(19-10-5-9-17-19)14-6-3-2-4-7-14/h2-7,9-10,15-16H,8,11-13H2,1H3.
What are the key properties of N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine?
N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenyl-3-pyrazol-1-ylpropyl)oxetan-3-amine is sourced from PubChem (CID 141401720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).