3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane

C17H28N4 — CID 82872339

IUPAC3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1ccc(CN2CC3(CCCCC3)NCC2C2CC2)n1
InChIInChI=1S/C17H28N4/c1-20-10-7-15(19-20)12-21-13-17(8-3-2-4-9-17)18-11-16(21)14-5-6-14/h7,10,14,16,18H,2-6,8-9,11-13H2,1H3
InChIKeyAYGZJSRHKPUNRM-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.31
Rot. Bonds3

About 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane

3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 82872339) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID82872339
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1ccc(CN2CC3(CCCCC3)NCC2C2CC2)n1
InChIInChI=1S/C17H28N4/c1-20-10-7-15(19-20)12-21-13-17(8-3-2-4-9-17)18-11-16(21)14-5-6-14/h7,10,14,16,18H,2-6,8-9,11-13H2,1H3
InChIKeyAYGZJSRHKPUNRM-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 82872339) is 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane is Cn1ccc(CN2CC3(CCCCC3)NCC2C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is AYGZJSRHKPUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20-10-7-15(19-20)12-21-13-17(8-3-2-4-9-17)18-11-16(21)14-5-6-14/h7,10,14,16,18H,2-6,8-9,11-13H2,1H3.
What are the key properties of 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 288.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82872339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).