(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol

C21H24FN3O — CID 95870427

IUPAC(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCc1ccc(-n2cc(CN(C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H24FN3O/c1-15-4-10-20(11-5-15)25-14-18(13-24(3)12-16(2)26)21(23-25)17-6-8-19(22)9-7-17/h4-11,14,16,26H,12-13H2,1-3H3/t16-/m0/s1
InChIKeyVSLXYCCYKPTMTJ-INIZCTEOSA-N
MW353.44 g/mol
LogP3.80
Rot. Bonds6

About (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol

(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol (PubChem CID 95870427) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
PubChem CID95870427
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCc1ccc(-n2cc(CN(C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H24FN3O/c1-15-4-10-20(11-5-15)25-14-18(13-24(3)12-16(2)26)21(23-25)17-6-8-19(22)9-7-17/h4-11,14,16,26H,12-13H2,1-3H3/t16-/m0/s1
InChIKeyVSLXYCCYKPTMTJ-INIZCTEOSA-N
XLogP3.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol with MolForge

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Related Compounds

N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
CID 25383519
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
CID 42211540
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 8603128
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 26397328
N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 38438530
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol (CID 95870427) is (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol is Cc1ccc(-n2cc(CN(C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol?
The InChIKey is VSLXYCCYKPTMTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-4-10-20(11-5-15)25-14-18(13-24(3)12-16(2)26)21(23-25)17-6-8-19(22)9-7-17/h4-11,14,16,26H,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol?
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol has a molecular weight of 353.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 95870427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).