2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C22H33ClN4 — CID 120907296

IUPAC2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCc1ccc(Cn2nc(C)c(CN3CCC4(CCNCC4)C3)c2C)cc1.Cl
InChIInChI=1S/C22H32N4.ClH/c1-17-4-6-20(7-5-17)14-26-19(3)21(18(2)24-26)15-25-13-10-22(16-25)8-11-23-12-9-22;/h4-7,23H,8-16H2,1-3H3;1H
InChIKeyUJNJCBVBNABCST-UHFFFAOYSA-N
MW388.99 g/mol
LogP3.85
Rot. Bonds4

About 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907296) has the molecular formula C22H33ClN4 and a molecular weight of 388.99 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907296
Molecular FormulaC22H33ClN4
Molecular Weight388.99 g/mol
Exact Mass388.24
IUPAC Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCc1ccc(Cn2nc(C)c(CN3CCC4(CCNCC4)C3)c2C)cc1.Cl
InChIInChI=1S/C22H32N4.ClH/c1-17-4-6-20(7-5-17)14-26-19(3)21(18(2)24-26)15-25-13-10-22(16-25)8-11-23-12-9-22;/h4-7,23H,8-16H2,1-3H3;1H
InChIKeyUJNJCBVBNABCST-UHFFFAOYSA-N
XLogP3.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.99
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906461
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907418
2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908560
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907365
6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
CID 97159669
[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781074
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908289
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907296) is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cc1ccc(Cn2nc(C)c(CN3CCC4(CCNCC4)C3)c2C)cc1.Cl.
What is the InChIKey of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is UJNJCBVBNABCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4.ClH/c1-17-4-6-20(7-5-17)14-26-19(3)21(18(2)24-26)15-25-13-10-22(16-25)8-11-23-12-9-22;/h4-7,23H,8-16H2,1-3H3;1H.
What are the key properties of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 388.99 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).