(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine

C14H18FN3O — CID 135132845

IUPAC(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
SMILESN[C@H](Cn1cccn1)[C@H](CF)OCc1ccccc1
InChIInChI=1S/C14H18FN3O/c15-9-14(13(16)10-18-8-4-7-17-18)19-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11,16H2/t13-,14+/m1/s1
InChIKeyUSTLHQSHQVMPPQ-KGLIPLIRSA-N
MW263.32 g/mol
LogP1.77
Rot. Bonds7

About (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine

(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine (PubChem CID 135132845) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
PubChem CID135132845
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
SMILESN[C@H](Cn1cccn1)[C@H](CF)OCc1ccccc1
InChIInChI=1S/C14H18FN3O/c15-9-14(13(16)10-18-8-4-7-17-18)19-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11,16H2/t13-,14+/m1/s1
InChIKeyUSTLHQSHQVMPPQ-KGLIPLIRSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine (CID 135132845) is (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine is N[C@H](Cn1cccn1)[C@H](CF)OCc1ccccc1.
What is the InChIKey of (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is USTLHQSHQVMPPQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-9-14(13(16)10-18-8-4-7-17-18)19-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11,16H2/t13-,14+/m1/s1.
What are the key properties of (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
(2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-fluoro-3-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 135132845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).