[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol

C20H22FN3O — CID 47626637

IUPAC[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1CO
InChIInChI=1S/C20H22FN3O/c1-14-20(12-22-11-16-5-3-4-6-17(16)13-25)15(2)24(23-14)19-9-7-18(21)8-10-19/h3-10,22,25H,11-13H2,1-2H3
InChIKeyMYTNGIRPQDWTLT-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.41
Rot. Bonds6

About [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol

[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol (PubChem CID 47626637) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
PubChem CID47626637
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1CO
InChIInChI=1S/C20H22FN3O/c1-14-20(12-22-11-16-5-3-4-6-17(16)13-25)15(2)24(23-14)19-9-7-18(21)8-10-19/h3-10,22,25H,11-13H2,1-2H3
InChIKeyMYTNGIRPQDWTLT-UHFFFAOYSA-N
XLogP3.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
CID 111119123
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
1-(1-benzothiophen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 112806117
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073032
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47814711
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 47009029
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232

Frequently Asked Questions

What is the IUPAC name of [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol (CID 47626637) is [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol is Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1CO.
What is the InChIKey of [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The InChIKey is MYTNGIRPQDWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14-20(12-22-11-16-5-3-4-6-17(16)13-25)15(2)24(23-14)19-9-7-18(21)8-10-19/h3-10,22,25H,11-13H2,1-2H3.
What are the key properties of [2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol has a molecular weight of 339.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 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]methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 47626637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).