N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C16H28N4O — CID 122166276

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESc1nn(C2CCCC2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C16H28N4O/c1-2-5-16(4-1)20-14-15(13-18-20)12-17-6-3-7-19-8-10-21-11-9-19/h13-14,16-17H,1-12H2
InChIKeyBYAWXJMBPISOMU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.81
Rot. Bonds7

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 122166276) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID122166276
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESc1nn(C2CCCC2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C16H28N4O/c1-2-5-16(4-1)20-14-15(13-18-20)12-17-6-3-7-19-8-10-21-11-9-19/h13-14,16-17H,1-12H2
InChIKeyBYAWXJMBPISOMU-UHFFFAOYSA-N
XLogP1.81
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126963907
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 122166276) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is c1nn(C2CCCC2)cc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is BYAWXJMBPISOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-5-16(4-1)20-14-15(13-18-20)12-17-6-3-7-19-8-10-21-11-9-19/h13-14,16-17H,1-12H2.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 122166276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).