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

C18H25ClN4 — CID 120908194

IUPAC2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCc1ccccc1-n1nccc1CN1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-4-2-3-5-17(15)22-16(6-9-20-22)12-21-11-8-18(14-21)7-10-19-13-18;/h2-6,9,19H,7-8,10-14H2,1H3;1H
InChIKeyWZGCBXREFDZNKJ-UHFFFAOYSA-N
MW332.88 g/mol
LogP2.79
Rot. Bonds3

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

2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908194) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908194
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCc1ccccc1-n1nccc1CN1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-4-2-3-5-17(15)22-16(6-9-20-22)12-21-11-8-18(14-21)7-10-19-13-18;/h2-6,9,19H,7-8,10-14H2,1H3;1H
InChIKeyWZGCBXREFDZNKJ-UHFFFAOYSA-N
XLogP2.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120840201
(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120845564
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908289
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908299
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 120908377
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908194) is 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cc1ccccc1-n1nccc1CN1CCC2(CCNC2)C1.Cl.
What is the InChIKey of 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is WZGCBXREFDZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.ClH/c1-15-4-2-3-5-17(15)22-16(6-9-20-22)12-21-11-8-18(14-21)7-10-19-13-18;/h2-6,9,19H,7-8,10-14H2,1H3;1H.
What are the key properties of 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).