(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine

C18H18FN3O — CID 175300662

IUPAC(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine
SMILESC[C@@H](N)Cn1ccc(-c2ccc(Oc3ccccc3)cc2F)n1
InChIInChI=1S/C18H18FN3O/c1-13(20)12-22-10-9-18(21-22)16-8-7-15(11-17(16)19)23-14-5-3-2-4-6-14/h2-11,13H,12,20H2,1H3/t13-/m1/s1
InChIKeyLWIKMKYSXZETBC-CYBMUJFWSA-N
MW311.36 g/mol
LogP3.83
Rot. Bonds5

About (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine

(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine (PubChem CID 175300662) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine
PubChem CID175300662
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine
SMILESC[C@@H](N)Cn1ccc(-c2ccc(Oc3ccccc3)cc2F)n1
InChIInChI=1S/C18H18FN3O/c1-13(20)12-22-10-9-18(21-22)16-8-7-15(11-17(16)19)23-14-5-3-2-4-6-14/h2-11,13H,12,20H2,1H3/t13-/m1/s1
InChIKeyLWIKMKYSXZETBC-CYBMUJFWSA-N
XLogP3.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
CID 9861009
3-[4-(2,4-Difluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
CID 9948785
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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine (CID 175300662) is (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine is C[C@@H](N)Cn1ccc(-c2ccc(Oc3ccccc3)cc2F)n1.
What is the InChIKey of (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is LWIKMKYSXZETBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13(20)12-22-10-9-18(21-22)16-8-7-15(11-17(16)19)23-14-5-3-2-4-6-14/h2-11,13H,12,20H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine?
(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 311.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 175300662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).