2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C16H26N4O — CID 45238072

IUPAC2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ncc(CN2CCC3(CCCN(C)C3=O)C2)c1C
InChIInChI=1S/C16H26N4O/c1-4-20-13(2)14(10-17-20)11-19-9-7-16(12-19)6-5-8-18(3)15(16)21/h10H,4-9,11-12H2,1-3H3
InChIKeyIKMBURVYXQBFMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds3

About 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45238072) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45238072
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ncc(CN2CCC3(CCCN(C)C3=O)C2)c1C
InChIInChI=1S/C16H26N4O/c1-4-20-13(2)14(10-17-20)11-19-9-7-16(12-19)6-5-8-18(3)15(16)21/h10H,4-9,11-12H2,1-3H3
InChIKeyIKMBURVYXQBFMZ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 45238072) is 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CCn1ncc(CN2CCC3(CCCN(C)C3=O)C2)c1C.
What is the InChIKey of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IKMBURVYXQBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-13(2)14(10-17-20)11-19-9-7-16(12-19)6-5-8-18(3)15(16)21/h10H,4-9,11-12H2,1-3H3.
What are the key properties of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 290.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45238072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).