9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C22H30N4O — CID 70778993

IUPAC9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)n(-c2ccccc2CN2CCC3(CCC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-17-14-18(2)26(23-17)20-7-5-4-6-19(20)15-25-12-10-22(11-13-25)9-8-21(27)24(3)16-22/h4-7,14H,8-13,15-16H2,1-3H3
InChIKeyJIWVIWGNAOQPPN-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.32
Rot. Bonds3

About 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70778993) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70778993
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)n(-c2ccccc2CN2CCC3(CCC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-17-14-18(2)26(23-17)20-7-5-4-6-19(20)15-25-12-10-22(11-13-25)9-8-21(27)24(3)16-22/h4-7,14H,8-13,15-16H2,1-3H3
InChIKeyJIWVIWGNAOQPPN-UHFFFAOYSA-N
XLogP3.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6S)-8-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97148708
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
3-amino-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56701671
(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
CID 124854894
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
2-[9-[(2-ethylphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 70718478
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70778993) is 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C)n(-c2ccccc2CN2CCC3(CCC(=O)N(C)C3)CC2)n1.
What is the InChIKey of 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JIWVIWGNAOQPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-14-18(2)26(23-17)20-7-5-4-6-19(20)15-25-12-10-22(11-13-25)9-8-21(27)24(3)16-22/h4-7,14H,8-13,15-16H2,1-3H3.
What are the key properties of 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.51 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70778993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).