1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride

C13H24Cl2N4O — CID 118742072

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCl.Cl.Cn1ccc(CN2CCOCC23CCNCC3)n1
InChIInChI=1S/C13H22N4O.2ClH/c1-16-7-2-12(15-16)10-17-8-9-18-11-13(17)3-5-14-6-4-13;;/h2,7,14H,3-6,8-11H2,1H3;2*1H
InChIKeyGFEZIWBFPNIBBT-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.22
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride

1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride (PubChem CID 118742072) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride
PubChem CID118742072
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCl.Cl.Cn1ccc(CN2CCOCC23CCNCC3)n1
InChIInChI=1S/C13H22N4O.2ClH/c1-16-7-2-12(15-16)10-17-8-9-18-11-13(17)3-5-14-6-4-13;;/h2,7,14H,3-6,8-11H2,1H3;2*1H
InChIKeyGFEZIWBFPNIBBT-UHFFFAOYSA-N
XLogP1.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-9-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396281
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 118742073
2-[(1-ethyl-1H-pyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91829921
{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}[2-(morpholin-4-yl)ethyl]amine
CID 122166075
{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}[3-(morpholin-4-yl)propyl]amine
CID 122166078
1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396282
4-[1-[(5-Methylpyrazol-1-yl)methyl]cyclohexyl]morpholine
CID 89500274
[(1-methyl-1H-pyrazol-5-yl)methyl][2-(morpholin-4-yl)ethyl]amine
CID 43663210
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663239
[(1-methyl-1H-pyrazol-5-yl)methyl][3-(morpholin-4-yl)propyl]amine
CID 43663290
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpentan-1-amine
CID 43663298
N-[(2-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675922

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride (CID 118742072) is 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride is Cl.Cl.Cn1ccc(CN2CCOCC23CCNCC3)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride?
The InChIKey is GFEZIWBFPNIBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-16-7-2-12(15-16)10-17-8-9-18-11-13(17)3-5-14-6-4-13;;/h2,7,14H,3-6,8-11H2,1H3;2*1H.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride?
1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride is sourced from PubChem (CID 118742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).