8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H26N6O3 — CID 118767932

IUPAC8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1C
InChIInChI=1S/C18H26N6O3/c1-11-15(13(3)25)12(2)24(21-11)10-14(26)23-8-6-18(7-9-23)16(27)19-17(20-18)22(4)5/h6-10H2,1-5H3,(H,19,20,27)
InChIKeyBFNJRCRRKPCFTH-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.11
Rot. Bonds3

About 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118767932) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118767932
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1C
InChIInChI=1S/C18H26N6O3/c1-11-15(13(3)25)12(2)24(21-11)10-14(26)23-8-6-18(7-9-23)16(27)19-17(20-18)22(4)5/h6-10H2,1-5H3,(H,19,20,27)
InChIKeyBFNJRCRRKPCFTH-UHFFFAOYSA-N
XLogP0.11
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperidine-3-carbonitrile
CID 90652340
2-(dimethylamino)-8-[3-(4-methylphenyl)-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119071488
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]ethanone
CID 97120098
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45221534
2-(dimethylamino)-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118770086
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]ethanone
CID 56878495
3-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138379083
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 118776866
(9aR)-2-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95125336
8-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56796265
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
8-[2-(benzotriazol-2-yl)acetyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118785152

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118767932) is 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(=O)c1c(C)nn(CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1C.
What is the InChIKey of 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BFNJRCRRKPCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-11-15(13(3)25)12(2)24(21-11)10-14(26)23-8-6-18(7-9-23)16(27)19-17(20-18)22(4)5/h6-10H2,1-5H3,(H,19,20,27).
What are the key properties of 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 374.45 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118767932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).