7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one

C17H27N5O2 — CID 118744246

IUPAC7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(C)=O)C2
InChIInChI=1S/C17H27N5O2/c1-4-21-12-17(7-16(21)24)11-20(5-6-22(13-17)14(2)23)10-15-8-18-19(3)9-15/h8-9H,4-7,10-13H2,1-3H3
InChIKeyQCUMFLJUIYVZID-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.32
Rot. Bonds3

About 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one

7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 118744246) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID118744246
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(C)=O)C2
InChIInChI=1S/C17H27N5O2/c1-4-21-12-17(7-16(21)24)11-20(5-6-22(13-17)14(2)23)10-15-8-18-19(3)9-15/h8-9H,4-7,10-13H2,1-3H3
InChIKeyQCUMFLJUIYVZID-UHFFFAOYSA-N
XLogP0.32
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one with MolForge

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Related Compounds

1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 53570840
2-(4-Methylpyrazol-1-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53579544
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methyloxan-4-yl)methanone
CID 53583610
Oxolan-3-yl-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53595809
1-[2-Oxo-2-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-2-one
CID 53604942
(1-Methylpyrrolidin-2-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53613893
2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118743810
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118743817
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744248
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118745384
N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 72911145

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one (CID 118744246) is 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(C)=O)C2.
What is the InChIKey of 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is QCUMFLJUIYVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-21-12-17(7-16(21)24)11-20(5-6-22(13-17)14(2)23)10-15-8-18-19(3)9-15/h8-9H,4-7,10-13H2,1-3H3.
What are the key properties of 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 333.44 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 118744246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).