2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

C13H22N4 — CID 120907844

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCn1cc(CN2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C13H22N4/c1-2-17-9-12(7-15-17)8-16-6-4-13(11-16)3-5-14-10-13/h7,9,14H,2-6,8,10-11H2,1H3
InChIKeyDZDUZMBPQKIZKQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.09
Rot. Bonds3

About 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120907844) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120907844
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCn1cc(CN2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C13H22N4/c1-2-17-9-12(7-15-17)8-16-6-4-13(11-16)3-5-14-10-13/h7,9,14H,2-6,8,10-11H2,1H3
InChIKeyDZDUZMBPQKIZKQ-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908419
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
CID 102849304
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120907844) is 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane is CCn1cc(CN2CCC3(CCNC3)C2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is DZDUZMBPQKIZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-17-9-12(7-15-17)8-16-6-4-13(11-16)3-5-14-10-13/h7,9,14H,2-6,8,10-11H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 234.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120907844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).