3-(4-phenylpyrazol-1-yl)oxan-4-amine

C14H17N3O — CID 62772194

IUPAC3-(4-phenylpyrazol-1-yl)oxan-4-amine
SMILESNC1CCOCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c15-13-6-7-18-10-14(13)17-9-12(8-16-17)11-4-2-1-3-5-11/h1-5,8-9,13-14H,6-7,10,15H2
InChIKeyMVUIGOWKHHABTM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

About 3-(4-phenylpyrazol-1-yl)oxan-4-amine

3-(4-phenylpyrazol-1-yl)oxan-4-amine (PubChem CID 62772194) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-phenylpyrazol-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-phenylpyrazol-1-yl)oxan-4-amine
PubChem CID62772194
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-phenylpyrazol-1-yl)oxan-4-amine
SMILESNC1CCOCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c15-13-6-7-18-10-14(13)17-9-12(8-16-17)11-4-2-1-3-5-11/h1-5,8-9,13-14H,6-7,10,15H2
InChIKeyMVUIGOWKHHABTM-UHFFFAOYSA-N
XLogP1.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The IUPAC name of 3-(4-phenylpyrazol-1-yl)oxan-4-amine (CID 62772194) is 3-(4-phenylpyrazol-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The canonical SMILES for 3-(4-phenylpyrazol-1-yl)oxan-4-amine is NC1CCOCC1n1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The InChIKey is MVUIGOWKHHABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-6-7-18-10-14(13)17-9-12(8-16-17)11-4-2-1-3-5-11/h1-5,8-9,13-14H,6-7,10,15H2.
What are the key properties of 3-(4-phenylpyrazol-1-yl)oxan-4-amine?
3-(4-phenylpyrazol-1-yl)oxan-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpyrazol-1-yl)oxan-4-amine is sourced from PubChem (CID 62772194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).