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

C16H30Cl2N4O — CID 126963907

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.c1nn(C2CCCC2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C16H28N4O.2ClH/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;2*1H
InChIKeyPCURNUXOALIYDS-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.65
Rot. Bonds7

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

N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 126963907) has the molecular formula C16H30Cl2N4O and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID126963907
Molecular FormulaC16H30Cl2N4O
Molecular Weight365.35 g/mol
Exact Mass364.18
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.c1nn(C2CCCC2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C16H28N4O.2ClH/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;2*1H
InChIKeyPCURNUXOALIYDS-UHFFFAOYSA-N
XLogP2.65
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.65
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
CID 122166276
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
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
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 126963907) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is Cl.Cl.c1nn(C2CCCC2)cc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is PCURNUXOALIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2ClH/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;2*1H.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.65, 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;dihydrochloride is sourced from PubChem (CID 126963907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).