2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane

C11H18N4 — CID 120908157

IUPAC2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1cc(CN2CCC3(CCNC3)C2)[nH]n1
InChIInChI=1S/C11H18N4/c1-4-13-14-10(1)7-15-6-3-11(9-15)2-5-12-8-11/h1,4,12H,2-3,5-9H2,(H,13,14)
InChIKeyGXZDZSUZZWUGCR-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.60
Rot. Bonds2

About 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane

2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 120908157) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID120908157
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1cc(CN2CCC3(CCNC3)C2)[nH]n1
InChIInChI=1S/C11H18N4/c1-4-13-14-10(1)7-15-6-3-11(9-15)2-5-12-8-11/h1,4,12H,2-3,5-9H2,(H,13,14)
InChIKeyGXZDZSUZZWUGCR-UHFFFAOYSA-N
XLogP0.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
CID 131101674
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane (CID 120908157) is 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane is c1cc(CN2CCC3(CCNC3)C2)[nH]n1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is GXZDZSUZZWUGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-13-14-10(1)7-15-6-3-11(9-15)2-5-12-8-11/h1,4,12H,2-3,5-9H2,(H,13,14).
What are the key properties of 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane?
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 206.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).