N-(2-pyrazol-1-ylphenyl)oxan-4-amine

C14H17N3O — CID 43705664

IUPACN-(2-pyrazol-1-ylphenyl)oxan-4-amine
SMILESc1ccc(-n2cccn2)c(NC2CCOCC2)c1
InChIInChI=1S/C14H17N3O/c1-2-5-14(17-9-3-8-15-17)13(4-1)16-12-6-10-18-11-7-12/h1-5,8-9,12,16H,6-7,10-11H2
InChIKeyUFODAZYSNMEKPP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds3

About N-(2-pyrazol-1-ylphenyl)oxan-4-amine

N-(2-pyrazol-1-ylphenyl)oxan-4-amine (PubChem CID 43705664) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)oxan-4-amine
PubChem CID43705664
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2-pyrazol-1-ylphenyl)oxan-4-amine
SMILESc1ccc(-n2cccn2)c(NC2CCOCC2)c1
InChIInChI=1S/C14H17N3O/c1-2-5-14(17-9-3-8-15-17)13(4-1)16-12-6-10-18-11-7-12/h1-5,8-9,12,16H,6-7,10-11H2
InChIKeyUFODAZYSNMEKPP-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)oxan-4-amine?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)oxan-4-amine (CID 43705664) is N-(2-pyrazol-1-ylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)oxan-4-amine is c1ccc(-n2cccn2)c(NC2CCOCC2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)oxan-4-amine?
The InChIKey is UFODAZYSNMEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-14(17-9-3-8-15-17)13(4-1)16-12-6-10-18-11-7-12/h1-5,8-9,12,16H,6-7,10-11H2.
What are the key properties of N-(2-pyrazol-1-ylphenyl)oxan-4-amine?
N-(2-pyrazol-1-ylphenyl)oxan-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)oxan-4-amine is sourced from PubChem (CID 43705664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).