8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C15H22N4O2 — CID 70778379

IUPAC8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2
InChIInChI=1S/C15H22N4O2/c1-11-12(9-18(3)16-11)14(21)19-6-4-15(5-7-19)8-13(20)17(2)10-15/h9H,4-8,10H2,1-3H3
InChIKeyODRWTEHLRLOWKW-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.81
Rot. Bonds1

About 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70778379) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70778379
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2
InChIInChI=1S/C15H22N4O2/c1-11-12(9-18(3)16-11)14(21)19-6-4-15(5-7-19)8-13(20)17(2)10-15/h9H,4-8,10H2,1-3H3
InChIKeyODRWTEHLRLOWKW-UHFFFAOYSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382
1-(1,3-dimethylpyrazole-4-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161004
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 75513234
8-(1,3-dimethylpyrazole-4-carbonyl)-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70763598
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124982202
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124956840
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
9-(1,3-dimethylpyrazole-4-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 102801969
(1,3-dimethylpyrazol-4-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97100859
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102801072
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 70778379) is 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2.
What is the InChIKey of 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ODRWTEHLRLOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-12(9-18(3)16-11)14(21)19-6-4-15(5-7-19)8-13(20)17(2)10-15/h9H,4-8,10H2,1-3H3.
What are the key properties of 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70778379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).