(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine

C13H16FN3O — CID 134395419

IUPAC(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine
SMILESCO[C@H](c1ccc(-n2cccn2)cc1)[C@H](N)CF
InChIInChI=1S/C13H16FN3O/c1-18-13(12(15)9-14)10-3-5-11(6-4-10)17-8-2-7-16-17/h2-8,12-13H,9,15H2,1H3/t12-,13-/m1/s1
InChIKeyYZHXBHNRMOVDDH-CHWSQXEVSA-N
MW249.29 g/mol
LogP1.86
Rot. Bonds5

About (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine

(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine (PubChem CID 134395419) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine
PubChem CID134395419
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine
SMILESCO[C@H](c1ccc(-n2cccn2)cc1)[C@H](N)CF
InChIInChI=1S/C13H16FN3O/c1-18-13(12(15)9-14)10-3-5-11(6-4-10)17-8-2-7-16-17/h2-8,12-13H,9,15H2,1H3/t12-,13-/m1/s1
InChIKeyYZHXBHNRMOVDDH-CHWSQXEVSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]morpholine
CID 71656802
(4-(1H-Pyrazol-1-yl)phenyl)methanol
CID 2776480
1-(2,2-difluoroethyl)-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine
CID 68325626
1-methyl-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine
CID 68325752
(2S)-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]morpholine
CID 71656801
1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-ol
CID 16640543
(3-fluoro-4-(1H-pyrazol-1-yl)phenyl)methanol
CID 33789094
rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine hydrochloride
CID 121553789
(4-Pyrazol-1-ylphenyl)methyl acetate
CID 57718379
2-(4-fluorophenyl)-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]morpholine
CID 56868092
(1S)-1-[3-fluoro-4-(1H-pyrazol-1-yl)phenyl]ethan-1-ol
CID 78941264
rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine, trans
CID 121553788

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine?
The IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine (CID 134395419) is (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine.
What is the SMILES notation for (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine?
The canonical SMILES for (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine is CO[C@H](c1ccc(-n2cccn2)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine?
The InChIKey is YZHXBHNRMOVDDH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-18-13(12(15)9-14)10-3-5-11(6-4-10)17-8-2-7-16-17/h2-8,12-13H,9,15H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine?
(1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-methoxy-1-(4-pyrazol-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 134395419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).