N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine

C15H25N3O — CID 64864995

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2C3CCCOC3C2(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-10(2)18-9-11(8-16-18)17-13-12-6-5-7-19-14(12)15(13,3)4/h8-10,12-14,17H,5-7H2,1-4H3
InChIKeyFZAQWIOSQQOAGJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds3

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 64864995) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID64864995
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2C3CCCOC3C2(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-10(2)18-9-11(8-16-18)17-13-12-6-5-7-19-14(12)15(13,3)4/h8-10,12-14,17H,5-7H2,1-4H3
InChIKeyFZAQWIOSQQOAGJ-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
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-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine (CID 64864995) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2C3CCCOC3C2(C)C)cn1.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is FZAQWIOSQQOAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)18-9-11(8-16-18)17-13-12-6-5-7-19-14(12)15(13,3)4/h8-10,12-14,17H,5-7H2,1-4H3.
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.08, 3 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-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 64864995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).