(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine

C10H16FN3O — CID 126856250

IUPAC(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1ccn(C)n1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H16FN3O/c1-13(10-7-15-6-9(10)11)5-8-3-4-14(2)12-8/h3-4,9-10H,5-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyDBWZXMAJWBEULF-NXEZZACHSA-N
MW213.26 g/mol
LogP0.59
Rot. Bonds3

About (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine

(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine (PubChem CID 126856250) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine
PubChem CID126856250
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1ccn(C)n1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H16FN3O/c1-13(10-7-15-6-9(10)11)5-8-3-4-14(2)12-8/h3-4,9-10H,5-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyDBWZXMAJWBEULF-NXEZZACHSA-N
XLogP0.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxan-4-yl)-1H-pyrazole
CID 64453825
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
2-[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylethanamine
CID 118741108
(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
4-{ethyl[(1-ethyl-1H-pyrazol-3-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91833531
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
CID 136585137
1-(2-Propan-2-yloxyethyl)-3-(trifluoromethyl)pyrazole
CID 104097142
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 115596520
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
CID 115598524
1-(3-Methoxypropyl)-3-(trifluoromethyl)pyrazole
CID 115695084

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine (CID 126856250) is (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine is CN(Cc1ccn(C)n1)[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is DBWZXMAJWBEULF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-13(10-7-15-6-9(10)11)5-8-3-4-14(2)12-8/h3-4,9-10H,5-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine?
(3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 213.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126856250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).