N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine

C14H23N3O — CID 113354084

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NC2C3CCCOC3C2(C)C)nn1C
InChIInChI=1S/C14H23N3O/c1-9-8-11(16-17(9)4)15-12-10-6-5-7-18-13(10)14(12,2)3/h8,10,12-13H,5-7H2,1-4H3,(H,15,16)
InChIKeyJRHUKRVWPRJBNC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds2

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine (PubChem CID 113354084) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine
PubChem CID113354084
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NC2C3CCCOC3C2(C)C)nn1C
InChIInChI=1S/C14H23N3O/c1-9-8-11(16-17(9)4)15-12-10-6-5-7-18-13(10)14(12,2)3/h8,10,12-13H,5-7H2,1-4H3,(H,15,16)
InChIKeyJRHUKRVWPRJBNC-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine (CID 113354084) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine is Cc1cc(NC2C3CCCOC3C2(C)C)nn1C.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine?
The InChIKey is JRHUKRVWPRJBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-8-11(16-17(9)4)15-12-10-6-5-7-18-13(10)14(12,2)3/h8,10,12-13H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 113354084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).