2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane

C18H24N4 — CID 120908077

IUPAC2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C18H24N4/c1-14-3-2-4-15(9-14)17-16(10-20-21-17)11-22-8-6-18(13-22)5-7-19-12-18/h2-4,9-10,19H,5-8,11-13H2,1H3,(H,20,21)
InChIKeyPVBDEPDEEVYWGA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.57
Rot. Bonds3

About 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908077) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908077
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C18H24N4/c1-14-3-2-4-15(9-14)17-16(10-20-21-17)11-22-8-6-18(13-22)5-7-19-12-18/h2-4,9-10,19H,5-8,11-13H2,1H3,(H,20,21)
InChIKeyPVBDEPDEEVYWGA-UHFFFAOYSA-N
XLogP2.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908357
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907590
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908028
2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 75496879
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 120908377
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908077) is 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane is Cc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is PVBDEPDEEVYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-3-2-4-15(9-14)17-16(10-20-21-17)11-22-8-6-18(13-22)5-7-19-12-18/h2-4,9-10,19H,5-8,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 296.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).