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

C11H17F2N3O — CID 146444856

IUPAC[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
SMILESCc1cn(C)nc1C(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-/m0/s1
InChIKeyQCHJBRFLYRWTNJ-AXDSSHIGSA-N
MW245.27 g/mol
LogP1.54
Rot. Bonds2

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

[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine (PubChem CID 146444856) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
PubChem CID146444856
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
SMILESCc1cn(C)nc1C(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-/m0/s1
InChIKeyQCHJBRFLYRWTNJ-AXDSSHIGSA-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

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Related Compounds

(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444857
(R)-(4,4-difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444859
3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole
CID 156573484
4-(7-Oxabicyclo[2.2.1]heptan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 170107910
1-(3-Methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030614
1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 112742359
1,1-difluoro-3-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]propan-2-amine
CID 165638390
2,2-difluoro-3-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]propan-1-amine
CID 165742488
2-amino-3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-1-ol
CID 165742500
1,1,1-trifluoro-3-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]propan-2-amine
CID 165752555
2,2,2-trifluoro-1-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]ethan-1-amine
CID 165856329
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43772054

Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine (CID 146444856) is [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine is Cc1cn(C)nc1C(N)[C@]1(C)CC(F)(F)CO1.
What is the InChIKey of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
The InChIKey is QCHJBRFLYRWTNJ-AXDSSHIGSA-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-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine?
[(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 [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 146444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).