N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H25N3O — CID 83093071

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2O3)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14-10(9-18(4)17-14)8-16-12-7-11-5-6-13(12)19-11/h9,11-13,16H,5-8H2,1-4H3
InChIKeyXKCFSKFYRYLPGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.13
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 83093071) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID83093071
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2O3)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14-10(9-18(4)17-14)8-16-12-7-11-5-6-13(12)19-11/h9,11-13,16H,5-8H2,1-4H3
InChIKeyXKCFSKFYRYLPGL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-Ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine
CID 123337529
4-[4-methyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]piperidine
CID 178582872
4-[4-Methyl-1-(oxolan-3-yl)pyrazol-5-yl]piperidine
CID 178582960
4-[4-methyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]piperidine
CID 178583119
1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43254603
1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43254689
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43765496
3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43770858
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43772054
3-[(1-Methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792365
N-(2-Methoxycyclohexyl)-I+/-,1,5-trimethyl-1H-pyrazole-4-methanamine
CID 43792516
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893236

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 83093071) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cn1cc(CNC2CC3CCC2O3)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is XKCFSKFYRYLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14-10(9-18(4)17-14)8-16-12-7-11-5-6-13(12)19-11/h9,11-13,16H,5-8H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 83093071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).