8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C20H27FN4 — CID 97493621

IUPAC8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2cccc(F)c2)CC3)n1
InChIInChI=1S/C20H27FN4/c1-23-11-6-19(22-23)16-25-10-3-7-20(25)8-12-24(13-9-20)15-17-4-2-5-18(21)14-17/h2,4-6,11,14H,3,7-10,12-13,15-16H2,1H3
InChIKeyGRBANQWGMMZDNA-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.19
Rot. Bonds4

About 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97493621) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97493621
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2cccc(F)c2)CC3)n1
InChIInChI=1S/C20H27FN4/c1-23-11-6-19(22-23)16-25-10-3-7-20(25)8-12-24(13-9-20)15-17-4-2-5-18(21)14-17/h2,4-6,11,14H,3,7-10,12-13,15-16H2,1H3
InChIKeyGRBANQWGMMZDNA-UHFFFAOYSA-N
XLogP3.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
Fezolamine
CID 54567
Sant-1
CID 6878030
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97493621) is 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccc(CN2CCCC23CCN(Cc2cccc(F)c2)CC3)n1.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is GRBANQWGMMZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-23-11-6-19(22-23)16-25-10-3-7-20(25)8-12-24(13-9-20)15-17-4-2-5-18(21)14-17/h2,4-6,11,14H,3,7-10,12-13,15-16H2,1H3.
What are the key properties of 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 342.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).