2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C23H34N4O — CID 45230528

IUPAC2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cn[nH]c3-c3cc(C)ccc3C)C2)C1
InChIInChI=1S/C23H34N4O/c1-18-5-6-19(2)21(13-18)22-20(14-24-25-22)15-27-10-8-23(17-27)7-4-9-26(16-23)11-12-28-3/h5-6,13-14H,4,7-12,15-17H2,1-3H3,(H,24,25)
InChIKeyIGOQWKVPWRVKCD-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.63
Rot. Bonds6

About 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45230528) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45230528
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cn[nH]c3-c3cc(C)ccc3C)C2)C1
InChIInChI=1S/C23H34N4O/c1-18-5-6-19(2)21(13-18)22-20(14-24-25-22)15-27-10-8-23(17-27)7-4-9-26(16-23)11-12-28-3/h5-6,13-14H,4,7-12,15-17H2,1-3H3,(H,24,25)
InChIKeyIGOQWKVPWRVKCD-UHFFFAOYSA-N
XLogP3.63
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45230528) is 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(Cc3cn[nH]c3-c3cc(C)ccc3C)C2)C1.
What is the InChIKey of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is IGOQWKVPWRVKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-18-5-6-19(2)21(13-18)22-20(14-24-25-22)15-27-10-8-23(17-27)7-4-9-26(16-23)11-12-28-3/h5-6,13-14H,4,7-12,15-17H2,1-3H3,(H,24,25).
What are the key properties of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 382.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45230528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).