6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C13H18N4O2 — CID 64881279

IUPAC6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCn1cc(CN2C(=O)CNC(=O)C23CCCC3)cn1
InChIInChI=1S/C13H18N4O2/c1-16-8-10(6-15-16)9-17-11(18)7-14-12(19)13(17)4-2-3-5-13/h6,8H,2-5,7,9H2,1H3,(H,14,19)
InChIKeyRLTJZZICLBERAH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.19
Rot. Bonds2

About 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64881279) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64881279
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCn1cc(CN2C(=O)CNC(=O)C23CCCC3)cn1
InChIInChI=1S/C13H18N4O2/c1-16-8-10(6-15-16)9-17-11(18)7-14-12(19)13(17)4-2-3-5-13/h6,8H,2-5,7,9H2,1H3,(H,14,19)
InChIKeyRLTJZZICLBERAH-UHFFFAOYSA-N
XLogP0.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64881279) is 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cn1cc(CN2C(=O)CNC(=O)C23CCCC3)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is RLTJZZICLBERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-8-10(6-15-16)9-17-11(18)7-14-12(19)13(17)4-2-3-5-13/h6,8H,2-5,7,9H2,1H3,(H,14,19).
What are the key properties of 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 262.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64881279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).