2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C16H26N4O — CID 98895009

IUPAC2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C16H26N4O/c1-3-20-13-16(5-4-15(20)21)6-8-19(9-7-16)12-14-10-17-18(2)11-14/h10-11H,3-9,12-13H2,1-2H3
InChIKeyWAPMLVCNHCAESS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.64
Rot. Bonds3

About 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98895009) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98895009
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C16H26N4O/c1-3-20-13-16(5-4-15(20)21)6-8-19(9-7-16)12-14-10-17-18(2)11-14/h10-11H,3-9,12-13H2,1-2H3
InChIKeyWAPMLVCNHCAESS-UHFFFAOYSA-N
XLogP1.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70782523
methyl 3-[4-[[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]pyrazol-1-yl]propanoate
CID 96572132
2-ethyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70761215
(5R)-3-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-13-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360560
2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839569
(5R)-3-ethyl-13-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360452
9-[[3-[(1S)-1-(dimethylamino)ethyl]phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97139012
9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70751264
2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751725
(5S)-3-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360469
2-ethyl-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747573
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 98895009) is 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WAPMLVCNHCAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20-13-16(5-4-15(20)21)6-8-19(9-7-16)12-14-10-17-18(2)11-14/h10-11H,3-9,12-13H2,1-2H3.
What are the key properties of 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98895009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).