(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine

C19H25F2N3O — CID 129461360

IUPAC(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O/c1-11(16-9-15(20)5-6-17(16)21)22-10-14-7-8-25-19(14)18-12(2)23-24(4)13(18)3/h5-6,9,11,14,19,22H,7-8,10H2,1-4H3/t11-,14+,19-/m1/s1
InChIKeyNKMNLDTUSDDCFU-CILWKZBWSA-N
MW349.43 g/mol
LogP3.74
Rot. Bonds5

About (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine

(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 129461360) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID129461360
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O/c1-11(16-9-15(20)5-6-17(16)21)22-10-14-7-8-25-19(14)18-12(2)23-24(4)13(18)3/h5-6,9,11,14,19,22H,7-8,10H2,1-4H3/t11-,14+,19-/m1/s1
InChIKeyNKMNLDTUSDDCFU-CILWKZBWSA-N
XLogP3.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 96511973
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461358
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461359
(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461370
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 96511957
N-(thiophen-2-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778536
N-(thiophen-2-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778537
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 95778532
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778546
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778524
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (CID 129461360) is (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine is Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is NKMNLDTUSDDCFU-CILWKZBWSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-11(16-9-15(20)5-6-17(16)21)22-10-14-7-8-25-19(14)18-12(2)23-24(4)13(18)3/h5-6,9,11,14,19,22H,7-8,10H2,1-4H3/t11-,14+,19-/m1/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 349.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 129461360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).