1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

C20H35N5O — CID 56758383

IUPAC1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c1C
InChIInChI=1S/C20H35N5O/c1-6-18-16(2)21-25(17(18)3)14-19(26)24-11-7-10-23(5)20(15-24)8-12-22(4)13-9-20/h6-15H2,1-5H3
InChIKeyZAANXGDVZCSBHP-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.69
Rot. Bonds3

About 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 56758383) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID56758383
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c1C
InChIInChI=1S/C20H35N5O/c1-6-18-16(2)21-25(17(18)3)14-19(26)24-11-7-10-23(5)20(15-24)8-12-22(4)13-9-20/h6-15H2,1-5H3
InChIKeyZAANXGDVZCSBHP-UHFFFAOYSA-N
XLogP1.69
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
CID 25914578
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
1-Cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
CID 56703940
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97404991
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97516891
3-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56716326
1-(4-Propyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56822440
rel-(3R,4S)-4-cyclopropyl-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-3-pyrrolidinamine hydrochloride
CID 72861224
2-[Cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 75436566

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (CID 56758383) is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is CCc1c(C)nn(CC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c1C.
What is the InChIKey of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is ZAANXGDVZCSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-6-18-16(2)21-25(17(18)3)14-19(26)24-11-7-10-23(5)20(15-24)8-12-22(4)13-9-20/h6-15H2,1-5H3.
What are the key properties of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 361.53 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 56758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).