(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine

C11H17F2N3O — CID 146444857

IUPAC(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
SMILESCc1cn(C)nc1[C@@H](N)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C11H17F2N3O/c1-7-4-16(3)15-8(7)9(14)10(2)5-11(12,13)6-17-10/h4,9H,5-6,14H2,1-3H3/t9-,10+/m1/s1
InChIKeyQCHJBRFLYRWTNJ-ZJUUUORDSA-N
MW245.27 g/mol
LogP1.54
Rot. Bonds2

About (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine

(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine (PubChem CID 146444857) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
PubChem CID146444857
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
SMILESCc1cn(C)nc1[C@@H](N)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C11H17F2N3O/c1-7-4-16(3)15-8(7)9(14)10(2)5-11(12,13)6-17-10/h4,9H,5-6,14H2,1-3H3/t9-,10+/m1/s1
InChIKeyQCHJBRFLYRWTNJ-ZJUUUORDSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine 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 (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine (CID 146444857) is (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine is Cc1cn(C)nc1[C@@H](N)[C@]1(C)CC(F)(F)CO1.
What is the InChIKey of (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The InChIKey is QCHJBRFLYRWTNJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-7-4-16(3)15-8(7)9(14)10(2)5-11(12,13)6-17-10/h4,9H,5-6,14H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine has a molecular weight of 245.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 146444857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).