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

C15H23N3O — CID 65420740

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccn(C3CCCC3)n2)CC2CCC1O2
InChIInChI=1S/C15H23N3O/c16-15(10-13-5-6-14(15)19-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-14H,1-6,9-10,16H2
InChIKeyHGZANIDEOQAKJN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.19
Rot. Bonds3

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

2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65420740) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65420740
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccn(C3CCCC3)n2)CC2CCC1O2
InChIInChI=1S/C15H23N3O/c16-15(10-13-5-6-14(15)19-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-14H,1-6,9-10,16H2
InChIKeyHGZANIDEOQAKJN-UHFFFAOYSA-N
XLogP2.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421395
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
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
[3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533961
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65420740) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(Cc2ccn(C3CCCC3)n2)CC2CCC1O2.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is HGZANIDEOQAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(10-13-5-6-14(15)19-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-14H,1-6,9-10,16H2.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65420740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).