3-[2-(oxan-2-yl)pyrazol-3-yl]aniline

C14H17N3O — CID 170984356

IUPAC3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESNc1cccc(-c2ccnn2C2CCCCO2)c1
InChIInChI=1S/C14H17N3O/c15-12-5-3-4-11(10-12)13-7-8-16-17(13)14-6-1-2-9-18-14/h3-5,7-8,10,14H,1-2,6,9,15H2
InChIKeyPDYNZIFFQCLVFC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds2

About 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline

3-[2-(oxan-2-yl)pyrazol-3-yl]aniline (PubChem CID 170984356) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
PubChem CID170984356
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESNc1cccc(-c2ccnn2C2CCCCO2)c1
InChIInChI=1S/C14H17N3O/c15-12-5-3-4-11(10-12)13-7-8-16-17(13)14-6-1-2-9-18-14/h3-5,7-8,10,14H,1-2,6,9,15H2
InChIKeyPDYNZIFFQCLVFC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]benzaldehyde
CID 170984370
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 126607358
1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
CID 142517012
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
CID 88950303
CID 88950303
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
(E)-3-[5-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]prop-2-enal
CID 134511087

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline (CID 170984356) is 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline.
What is the SMILES notation for 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The canonical SMILES for 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline is Nc1cccc(-c2ccnn2C2CCCCO2)c1.
What is the InChIKey of 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The InChIKey is PDYNZIFFQCLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-5-3-4-11(10-12)13-7-8-16-17(13)14-6-1-2-9-18-14/h3-5,7-8,10,14H,1-2,6,9,15H2.
What are the key properties of 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)pyrazol-3-yl]aniline is sourced from PubChem (CID 170984356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).