2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane

C18H22F2N4 — CID 120966726

IUPAC2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1ccc(-n2ccc(CN3CCC4(CCNCC4)C3)n2)c(F)c1
InChIInChI=1S/C18H22F2N4/c19-14-1-2-17(16(20)11-14)24-9-3-15(22-24)12-23-10-6-18(13-23)4-7-21-8-5-18/h1-3,9,11,21H,4-8,10,12-13H2
InChIKeyYKAQSIFJSDEQJP-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds3

About 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane

2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120966726) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120966726
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1ccc(-n2ccc(CN3CCC4(CCNCC4)C3)n2)c(F)c1
InChIInChI=1S/C18H22F2N4/c19-14-1-2-17(16(20)11-14)24-9-3-15(22-24)12-23-10-6-18(13-23)4-7-21-8-5-18/h1-3,9,11,21H,4-8,10,12-13H2
InChIKeyYKAQSIFJSDEQJP-UHFFFAOYSA-N
XLogP2.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906861
4-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]triazol-4-yl]azepan-4-ol
CID 167749528
(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 124841986
1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 136535898
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907365
2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120966841
(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 154745401
1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
CID 118209138
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane (CID 120966726) is 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane is Fc1ccc(-n2ccc(CN3CCC4(CCNCC4)C3)n2)c(F)c1.
What is the InChIKey of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is YKAQSIFJSDEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c19-14-1-2-17(16(20)11-14)24-9-3-15(22-24)12-23-10-6-18(13-23)4-7-21-8-5-18/h1-3,9,11,21H,4-8,10,12-13H2.
What are the key properties of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 332.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120966726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).