2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

C14H24N4 — CID 56716342

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1n[nH]c(C)c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C14H24N4/c1-11-13(12(2)17-16-11)9-18-8-5-14(10-18)3-6-15-7-4-14/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyXBBUFGPTEWYXIT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.60
Rot. Bonds2

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56716342) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56716342
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1n[nH]c(C)c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C14H24N4/c1-11-13(12(2)17-16-11)9-18-8-5-14(10-18)3-6-15-7-4-14/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyXBBUFGPTEWYXIT-UHFFFAOYSA-N
XLogP1.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 56716342) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is Cc1n[nH]c(C)c1CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is XBBUFGPTEWYXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-13(12(2)17-16-11)9-18-8-5-14(10-18)3-6-15-7-4-14/h15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 248.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56716342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).