3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole

C19H19FN2O — CID 68755496

IUPAC3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(F)cc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H19FN2O/c1-14(2)22-9-8-19(21-22)16-10-17(20)12-18(11-16)23-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeySTDAJKGXEGSWPK-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.85
Rot. Bonds5

About 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole

3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole (PubChem CID 68755496) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole
PubChem CID68755496
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(F)cc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H19FN2O/c1-14(2)22-9-8-19(21-22)16-10-17(20)12-18(11-16)23-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeySTDAJKGXEGSWPK-UHFFFAOYSA-N
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid dimethylamide
CID 11198140
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714379

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole (CID 68755496) is 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole is CC(C)n1ccc(-c2cc(F)cc(OCc3ccccc3)c2)n1.
What is the InChIKey of 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole?
The InChIKey is STDAJKGXEGSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-14(2)22-9-8-19(21-22)16-10-17(20)12-18(11-16)23-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole?
3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole has a molecular weight of 310.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-phenylmethoxyphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 68755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).