(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol

C7H11FN2O — CID 170092720

IUPAC(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol
SMILESCc1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C7H11FN2O/c1-6-3-9-10(4-6)7(2-8)5-11/h3-4,7,11H,2,5H2,1H3/t7-/m1/s1
InChIKeyNXWJIJZZNOZKBY-SSDOTTSWSA-N
MW158.18 g/mol
LogP0.69
Rot. Bonds3

About (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol

(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol (PubChem CID 170092720) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol
PubChem CID170092720
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol
SMILESCc1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C7H11FN2O/c1-6-3-9-10(4-6)7(2-8)5-11/h3-4,7,11H,2,5H2,1H3/t7-/m1/s1
InChIKeyNXWJIJZZNOZKBY-SSDOTTSWSA-N
XLogP0.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-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 (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol?
The IUPAC name of (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol (CID 170092720) is (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol is Cc1cnn([C@@H](CO)CF)c1.
What is the InChIKey of (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol?
The InChIKey is NXWJIJZZNOZKBY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-6-3-9-10(4-6)7(2-8)5-11/h3-4,7,11H,2,5H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol?
(2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol has a molecular weight of 158.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-(4-methylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 170092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).