2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol

C19H20FN3O — CID 86776354

IUPAC2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-18-8-6-17(7-9-18)19(24)12-21-10-16-11-22-23(14-16)13-15-4-2-1-3-5-15/h1-9,11,14,19,21,24H,10,12-13H2
InChIKeyMYMTXLZDTQIDHJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.89
Rot. Bonds7

About 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol

2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 86776354) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID86776354
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-18-8-6-17(7-9-18)19(24)12-21-10-16-11-22-23(14-16)13-15-4-2-1-3-5-15/h1-9,11,14,19,21,24H,10,12-13H2
InChIKeyMYMTXLZDTQIDHJ-UHFFFAOYSA-N
XLogP2.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440398
1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111106392
2-(4-benzylpiperazin-1-yl)-N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 167753806
2-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073221
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678084
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(5-fluoro-2-methylphenyl)methyl]urea
CID 166331306

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (CID 86776354) is 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol is OC(CNCc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is MYMTXLZDTQIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-18-8-6-17(7-9-18)19(24)12-21-10-16-11-22-23(14-16)13-15-4-2-1-3-5-15/h1-9,11,14,19,21,24H,10,12-13H2.
What are the key properties of 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 325.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 86776354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).