2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C12H21ClN4 — CID 120908563

IUPAC2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1nccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C12H20N4.ClH/c1-15-11(2-5-14-15)8-16-7-4-12(10-16)3-6-13-9-12;/h2,5,13H,3-4,6-10H2,1H3;1H
InChIKeySFVCKCZKZYWPJL-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.03
Rot. Bonds2

About 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908563) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908563
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1nccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C12H20N4.ClH/c1-15-11(2-5-14-15)8-16-7-4-12(10-16)3-6-13-9-12;/h2,5,13H,3-4,6-10H2,1H3;1H
InChIKeySFVCKCZKZYWPJL-UHFFFAOYSA-N
XLogP1.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908194
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908563) is 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.Cn1nccc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is SFVCKCZKZYWPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.ClH/c1-15-11(2-5-14-15)8-16-7-4-12(10-16)3-6-13-9-12;/h2,5,13H,3-4,6-10H2,1H3;1H.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).