(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol

C24H22FN3O — CID 51923545

IUPAC(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H22FN3O/c25-21-13-11-19(12-14-21)24-20(17-28(27-24)22-9-5-2-6-10-22)15-26-16-23(29)18-7-3-1-4-8-18/h1-14,17,23,26,29H,15-16H2/t23-/m1/s1
InChIKeyMZJJVHCSFDHRPY-HSZRJFAPSA-N
MW387.46 g/mol
LogP4.50
Rot. Bonds7

About (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol

(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol (PubChem CID 51923545) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
PubChem CID51923545
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H22FN3O/c25-21-13-11-19(12-14-21)24-20(17-28(27-24)22-9-5-2-6-10-22)15-26-16-23(29)18-7-3-1-4-8-18/h1-14,17,23,26,29H,15-16H2/t23-/m1/s1
InChIKeyMZJJVHCSFDHRPY-HSZRJFAPSA-N
XLogP4.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 112796140
1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 167756896
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]ethanone
CID 167980539
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol (CID 51923545) is (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol is O[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol?
The InChIKey is MZJJVHCSFDHRPY-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-21-13-11-19(12-14-21)24-20(17-28(27-24)22-9-5-2-6-10-22)15-26-16-23(29)18-7-3-1-4-8-18/h1-14,17,23,26,29H,15-16H2/t23-/m1/s1.
What are the key properties of (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol?
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol has a molecular weight of 387.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51923545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).