2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C21H29N5O — CID 127685633

IUPAC2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)n(C)n1
InChIInChI=1S/C21H29N5O/c1-17-14-19(24(2)23-17)22-20(27)26-12-9-21(10-13-26)8-11-25(16-21)15-18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3,(H,22,27)
InChIKeySKRFHAWINGGPCH-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.25
Rot. Bonds3

About 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 127685633) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID127685633
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)n(C)n1
InChIInChI=1S/C21H29N5O/c1-17-14-19(24(2)23-17)22-20(27)26-12-9-21(10-13-26)8-11-25(16-21)15-18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3,(H,22,27)
InChIKeySKRFHAWINGGPCH-UHFFFAOYSA-N
XLogP3.25
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764
3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 166199217
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
CID 120873763
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 72857286
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 127685633) is 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is Cc1cc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)n(C)n1.
What is the InChIKey of 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is SKRFHAWINGGPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17-14-19(24(2)23-17)22-20(27)26-12-9-21(10-13-26)8-11-25(16-21)15-18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3,(H,22,27).
What are the key properties of 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 127685633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).