2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane

C20H27FN4 — CID 120907365

IUPAC2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C20H27FN4/c1-15-19(13-24-12-9-20(14-24)7-10-22-11-8-20)16(2)25(23-15)18-5-3-17(21)4-6-18/h3-6,22H,7-14H2,1-2H3
InChIKeyQZWKGRYRIXBPIX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.20
Rot. Bonds3

About 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane

2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120907365) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120907365
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C20H27FN4/c1-15-19(13-24-12-9-20(14-24)7-10-22-11-8-20)16(2)25(23-15)18-5-3-17(21)4-6-18/h3-6,22H,7-14H2,1-2H3
InChIKeyQZWKGRYRIXBPIX-UHFFFAOYSA-N
XLogP3.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908289
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906461
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907296
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907418
(6S)-2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-8-methyl-2,8-diazaspiro[5.6]dodec-10-en-7-one
CID 125006927
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908560
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 74231498
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 152764880
methyl (3R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxylate
CID 97160592
(3aS,4S,7aR)-4-ethyl-2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163315930

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane (CID 120907365) is 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is QZWKGRYRIXBPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-15-19(13-24-12-9-20(14-24)7-10-22-11-8-20)16(2)25(23-15)18-5-3-17(21)4-6-18/h3-6,22H,7-14H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 342.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).