8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C17H30N4O — CID 91922091

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)CN(C)CC3COC)cn1
InChIInChI=1S/C17H30N4O/c1-4-21-11-15(9-18-21)10-20-7-5-17(6-8-20)14-19(2)12-16(17)13-22-3/h9,11,16H,4-8,10,12-14H2,1-3H3
InChIKeyQKXUPRSLKZGAEI-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.69
Rot. Bonds5

About 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922091) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922091
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)CN(C)CC3COC)cn1
InChIInChI=1S/C17H30N4O/c1-4-21-11-15(9-18-21)10-20-7-5-17(6-8-20)14-19(2)12-16(17)13-22-3/h9,11,16H,4-8,10,12-14H2,1-3H3
InChIKeyQKXUPRSLKZGAEI-UHFFFAOYSA-N
XLogP1.69
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,7R,7aR)-N,N-diethyl-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 97461293
3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118746971
1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922264
[8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922267
{2-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922304
{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922313
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922330
{2-cyclobutyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922334
7-[(1-Ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197981
8-[(1-Ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155854126
4-(Cyclopropylmethoxymethyl)-2-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155869063
7-(2,2-Dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 45237461

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922091) is 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is CCn1cc(CN2CCC3(CC2)CN(C)CC3COC)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is QKXUPRSLKZGAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-21-11-15(9-18-21)10-20-7-5-17(6-8-20)14-19(2)12-16(17)13-22-3/h9,11,16H,4-8,10,12-14H2,1-3H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 306.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).