2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C12H19N3O — CID 103017721

IUPAC2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCC1(N)CC2CCC1O2
InChIInChI=1S/C12H19N3O/c1-15-9(5-7-14-15)4-6-12(13)8-10-2-3-11(12)16-10/h5,7,10-11H,2-4,6,8,13H2,1H3
InChIKeyAONYZQUUUPRWAW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds3

About 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 103017721) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID103017721
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCC1(N)CC2CCC1O2
InChIInChI=1S/C12H19N3O/c1-15-9(5-7-14-15)4-6-12(13)8-10-2-3-11(12)16-10/h5,7,10-11H,2-4,6,8,13H2,1H3
InChIKeyAONYZQUUUPRWAW-UHFFFAOYSA-N
XLogP1.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103017111
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422682
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420740
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
3-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 103005116
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 103017721) is 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cn1nccc1CCC1(N)CC2CCC1O2.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is AONYZQUUUPRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9(5-7-14-15)4-6-12(13)8-10-2-3-11(12)16-10/h5,7,10-11H,2-4,6,8,13H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103017721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).