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

C13H22N4O — CID 118742073

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCn1ccc(CN2CCOCC23CCNCC3)n1
InChIInChI=1S/C13H22N4O/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
InChIKeyOUUUONGFIDXBLN-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.37
Rot. Bonds2

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

1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 118742073) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID118742073
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCn1ccc(CN2CCOCC23CCNCC3)n1
InChIInChI=1S/C13H22N4O/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
InChIKeyOUUUONGFIDXBLN-UHFFFAOYSA-N
XLogP0.37
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.37
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
2-[(1-ethyl-1H-pyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91829921
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
1-[(1-Methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride
CID 118742072
1-(2-Methoxyethyl)-9-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118745715
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 64456312
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 64458585
{[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
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835581
1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396282
4-[1-[(3-Methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
CID 126459968

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 118742073) is 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is Cn1ccc(CN2CCOCC23CCNCC3)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is OUUUONGFIDXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/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.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 250.35 g/mol, XLogP of 0.37, 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 is sourced from PubChem (CID 118742073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).