2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

C23H28N4S — CID 120907224

IUPAC2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESc1ccc(Cn2cc(CN3CCC4(CCNCC4)C3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C23H28N4S/c1-2-5-19(6-3-1)15-27-17-20(22(25-27)21-7-4-14-28-21)16-26-13-10-23(18-26)8-11-24-12-9-23/h1-7,14,17,24H,8-13,15-16,18H2
InChIKeySEZBXONNIQSPKY-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.24
Rot. Bonds5

About 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120907224) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120907224
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESc1ccc(Cn2cc(CN3CCC4(CCNCC4)C3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C23H28N4S/c1-2-5-19(6-3-1)15-27-17-20(22(25-27)21-7-4-14-28-21)16-26-13-10-23(18-26)8-11-24-12-9-23/h1-7,14,17,24H,8-13,15-16,18H2
InChIKeySEZBXONNIQSPKY-UHFFFAOYSA-N
XLogP4.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908278
2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 27654624
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 167941077
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120907613
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058693
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 120907224) is 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is c1ccc(Cn2cc(CN3CCC4(CCNCC4)C3)c(-c3cccs3)n2)cc1.
What is the InChIKey of 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is SEZBXONNIQSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S/c1-2-5-19(6-3-1)15-27-17-20(22(25-27)21-7-4-14-28-21)16-26-13-10-23(18-26)8-11-24-12-9-23/h1-7,14,17,24H,8-13,15-16,18H2.
What are the key properties of 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 392.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).