(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C17H28N4O2 — CID 91922071

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CN(C)CC12CCN(C(=O)c1cc(C)nn1C)CC2
InChIInChI=1S/C17H28N4O2/c1-13-9-15(20(3)18-13)16(22)21-7-5-17(6-8-21)12-19(2)10-14(17)11-23-4/h9,14H,5-8,10-12H2,1-4H3
InChIKeyGRBSBLWXWZTTEI-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.16
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 91922071) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID91922071
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CN(C)CC12CCN(C(=O)c1cc(C)nn1C)CC2
InChIInChI=1S/C17H28N4O2/c1-13-9-15(20(3)18-13)16(22)21-7-5-17(6-8-21)12-19(2)10-14(17)11-23-4/h9,14H,5-8,10-12H2,1-4H3
InChIKeyGRBSBLWXWZTTEI-UHFFFAOYSA-N
XLogP1.16
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 91922071) is (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COCC1CN(C)CC12CCN(C(=O)c1cc(C)nn1C)CC2.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is GRBSBLWXWZTTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-9-15(20(3)18-13)16(22)21-7-5-17(6-8-21)12-19(2)10-14(17)11-23-4/h9,14H,5-8,10-12H2,1-4H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 91922071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).