(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol

C7H12FN3O — CID 135138416

IUPAC(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
SMILESN[C@H](Cn1cccn1)[C@@H](O)CF
InChIInChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7+/m1/s1
InChIKeySXKBDWKPPGBRJO-RQJHMYQMSA-N
MW173.19 g/mol
LogP-0.46
Rot. Bonds4

About (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol

(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol (PubChem CID 135138416) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
PubChem CID135138416
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
SMILESN[C@H](Cn1cccn1)[C@@H](O)CF
InChIInChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7+/m1/s1
InChIKeySXKBDWKPPGBRJO-RQJHMYQMSA-N
XLogP-0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol 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)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol (CID 135138416) is (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol is N[C@H](Cn1cccn1)[C@@H](O)CF.
What is the InChIKey of (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The InChIKey is SXKBDWKPPGBRJO-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
(2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol has a molecular weight of 173.19 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 135138416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).