(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine

C19H26ClN3O — CID 95352077

IUPAC(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H](C)OC(C)(C)C1
InChIInChI=1S/C19H26ClN3O/c1-14-10-22(13-19(3,4)24-14)12-17-15(2)21-23(18(17)20)11-16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1
InChIKeyHZWPLCHGNFQFCC-CQSZACIVSA-N
MW347.89 g/mol
LogP3.89
Rot. Bonds4

About (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine

(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine (PubChem CID 95352077) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine
PubChem CID95352077
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H](C)OC(C)(C)C1
InChIInChI=1S/C19H26ClN3O/c1-14-10-22(13-19(3,4)24-14)12-17-15(2)21-23(18(17)20)11-16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1
InChIKeyHZWPLCHGNFQFCC-CQSZACIVSA-N
XLogP3.89
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]silane
CID 103438391
N-methyl-1-[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 62436863
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62435983
3-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzonitrile
CID 47430318
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62434570
6-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79243466
[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 102662894
(2R,4R)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100901258
3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 63074878
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 78810000
1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 55831195

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine?
The IUPAC name of (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine (CID 95352077) is (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine is Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H](C)OC(C)(C)C1.
What is the InChIKey of (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine?
The InChIKey is HZWPLCHGNFQFCC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-14-10-22(13-19(3,4)24-14)12-17-15(2)21-23(18(17)20)11-16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine?
(6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine has a molecular weight of 347.89 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 95352077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).