(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

C24H26N4O — CID 42194996

IUPAC(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1ccc(-n2cc(CN(C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-8-10-22(11-9-17)28-16-21(15-27(4)19(3)23-12-13-29-26-23)24(25-28)20-7-5-6-18(2)14-20/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1
InChIKeyCVZLOEGCIQPHNP-IBGZPJMESA-N
MW386.50 g/mol
LogP5.34
Rot. Bonds6

About (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 42194996) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID42194996
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1ccc(-n2cc(CN(C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-8-10-22(11-9-17)28-16-21(15-27(4)19(3)23-12-13-29-26-23)24(25-28)20-7-5-6-18(2)14-20/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1
InChIKeyCVZLOEGCIQPHNP-IBGZPJMESA-N
XLogP5.34
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine 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

(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
(1R)-N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42526060
(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
CID 29181710
(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 95728045
(1S)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42244815
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 95870427
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 77093245
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
(1S)-N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42564687
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-(triazolidin-4-ylsulfanyl)ethanamine
CID 52974860

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (CID 42194996) is (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is Cc1ccc(-n2cc(CN(C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is CVZLOEGCIQPHNP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-8-10-22(11-9-17)28-16-21(15-27(4)19(3)23-12-13-29-26-23)24(25-28)20-7-5-6-18(2)14-20/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 386.50 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 42194996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).