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

C15H23N3O — CID 80720674

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cn(C2CCCC2)nc1CNC1CC2CCC1O2
InChIInChI=1S/C15H23N3O/c1-2-4-12(3-1)18-8-7-11(17-18)10-16-14-9-13-5-6-15(14)19-13/h7-8,12-16H,1-6,9-10H2
InChIKeyIPOILLDIEKTVES-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.41
Rot. Bonds4

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80720674) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80720674
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cn(C2CCCC2)nc1CNC1CC2CCC1O2
InChIInChI=1S/C15H23N3O/c1-2-4-12(3-1)18-8-7-11(17-18)10-16-14-9-13-5-6-15(14)19-13/h7-8,12-16H,1-6,9-10H2
InChIKeyIPOILLDIEKTVES-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
CID 64785484
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602288
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935
trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167874914
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115331744
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80720674) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is c1cn(C2CCCC2)nc1CNC1CC2CCC1O2.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is IPOILLDIEKTVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-4-12(3-1)18-8-7-11(17-18)10-16-14-9-13-5-6-15(14)19-13/h7-8,12-16H,1-6,9-10H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80720674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).