[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol

C22H26FN3O — CID 46997901

IUPAC[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c(C)c1CO
InChIInChI=1S/C22H26FN3O/c1-14-9-15(2)21(13-27)16(3)20(14)12-26(4)11-18-10-24-25-22(18)17-5-7-19(23)8-6-17/h5-10,27H,11-13H2,1-4H3,(H,24,25)
InChIKeyLNHYWTRTIRWVMJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.27
Rot. Bonds6

About [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol

[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol (PubChem CID 46997901) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol.

Molecular Properties

Compound Name[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
PubChem CID46997901
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c(C)c1CO
InChIInChI=1S/C22H26FN3O/c1-14-9-15(2)21(13-27)16(3)20(14)12-26(4)11-18-10-24-25-22(18)17-5-7-19(23)8-6-17/h5-10,27H,11-13H2,1-4H3,(H,24,25)
InChIKeyLNHYWTRTIRWVMJ-UHFFFAOYSA-N
XLogP4.27
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol?
The IUPAC name of [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol (CID 46997901) is [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol.
What is the SMILES notation for [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol?
The canonical SMILES for [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol is Cc1cc(C)c(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c(C)c1CO.
What is the InChIKey of [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol?
The InChIKey is LNHYWTRTIRWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-14-9-15(2)21(13-27)16(3)20(14)12-26(4)11-18-10-24-25-22(18)17-5-7-19(23)8-6-17/h5-10,27H,11-13H2,1-4H3,(H,24,25).
What are the key properties of [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol?
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol has a molecular weight of 367.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol is sourced from PubChem (CID 46997901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).