2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C16H25N3O — CID 65421395

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccn(C3CCCCC3)n2)CC2CCC1O2
InChIInChI=1S/C16H25N3O/c17-16(11-14-6-7-15(16)20-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15H,1-7,10-11,17H2
InChIKeyCXWCRGBODMOAIN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.58
Rot. Bonds3

About 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65421395) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65421395
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccn(C3CCCCC3)n2)CC2CCC1O2
InChIInChI=1S/C16H25N3O/c17-16(11-14-6-7-15(16)20-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15H,1-7,10-11,17H2
InChIKeyCXWCRGBODMOAIN-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420740
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65421395) is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(Cc2ccn(C3CCCCC3)n2)CC2CCC1O2.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is CXWCRGBODMOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(11-14-6-7-15(16)20-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15H,1-7,10-11,17H2.
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65421395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).