2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane

C19H26N4O — CID 56716324

IUPAC2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(-n2cccn2)c(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C19H26N4O/c1-24-17-3-4-18(23-11-2-8-21-23)16(13-17)14-22-12-7-19(15-22)5-9-20-10-6-19/h2-4,8,11,13,20H,5-7,9-10,12,14-15H2,1H3
InChIKeyXLRHFVYDEBOOPI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.46
Rot. Bonds4

About 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56716324) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56716324
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(-n2cccn2)c(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C19H26N4O/c1-24-17-3-4-18(23-11-2-8-21-23)16(13-17)14-22-12-7-19(15-22)5-9-20-10-6-19/h2-4,8,11,13,20H,5-7,9-10,12,14-15H2,1H3
InChIKeyXLRHFVYDEBOOPI-UHFFFAOYSA-N
XLogP2.46
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16187264
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
1-[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3-pyrrolidinyl)methyl]methanamine
CID 16190541
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
1-(4-Methoxyphenyl)-4-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 49862197
2-(4-methylpiperazin-1-yl)-N-[[3-(o-tolyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 72547039
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16192017
N-[[1-(4-methoxyphenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72547538
N-[2-[3-(3-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537385
N-[(1-ethylpyrazol-4-yl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 56672644

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 56716324) is 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane is COc1ccc(-n2cccn2)c(CN2CCC3(CCNCC3)C2)c1.
What is the InChIKey of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is XLRHFVYDEBOOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-24-17-3-4-18(23-11-2-8-21-23)16(13-17)14-22-12-7-19(15-22)5-9-20-10-6-19/h2-4,8,11,13,20H,5-7,9-10,12,14-15H2,1H3.
What are the key properties of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 326.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56716324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).