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

C19H26ClN3O — CID 129461370

IUPAC(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-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)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O/c1-12(15-5-7-17(20)8-6-15)21-11-16-9-10-24-19(16)18-13(2)22-23(4)14(18)3/h5-8,12,16,19,21H,9-11H2,1-4H3/t12-,16-,19-/m1/s1
InChIKeyPSAMANHUXSNCAO-SMNXXWJPSA-N
MW347.89 g/mol
LogP4.12
Rot. Bonds5

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

(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 129461370) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID129461370
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-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)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O/c1-12(15-5-7-17(20)8-6-15)21-11-16-9-10-24-19(16)18-13(2)22-23(4)14(18)3/h5-8,12,16,19,21H,9-11H2,1-4H3/t12-,16-,19-/m1/s1
InChIKeyPSAMANHUXSNCAO-SMNXXWJPSA-N
XLogP4.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461360
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461359
(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
(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
[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
N-(1H-indol-4-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510800

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (CID 129461370) is (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-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)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is PSAMANHUXSNCAO-SMNXXWJPSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-12(15-5-7-17(20)8-6-15)21-11-16-9-10-24-19(16)18-13(2)22-23(4)14(18)3/h5-8,12,16,19,21H,9-11H2,1-4H3/t12-,16-,19-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 347.89 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 129461370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).