N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide

C30H40N4O3 — CID 73294180

IUPACN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide
SMILESCOc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C30H40N4O3/c1-29(2)19-23(20-30(3,4)37-29)24-18-26(34(32-24)25-10-8-9-11-27(25)36-7)21-12-14-22(15-13-21)28(35)31-16-17-33(5)6/h8-15,18,23H,16-17,19-20H2,1-7H3,(H,31,35)
InChIKeyFGILIOBISLAMCJ-UHFFFAOYSA-N
MW504.68 g/mol
LogP5.29
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide (PubChem CID 73294180) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide
PubChem CID73294180
Molecular FormulaC30H40N4O3
Molecular Weight504.68 g/mol
Exact Mass504.31
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide
SMILESCOc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C30H40N4O3/c1-29(2)19-23(20-30(3,4)37-29)24-18-26(34(32-24)25-10-8-9-11-27(25)36-7)21-12-14-22(15-13-21)28(35)31-16-17-33(5)6/h8-15,18,23H,16-17,19-20H2,1-7H3,(H,31,35)
InChIKeyFGILIOBISLAMCJ-UHFFFAOYSA-N
XLogP5.29
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide 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

4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzoic acid
CID 73292407
1-[4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]phenyl]ethanol
CID 73292408
5-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]-2-methylpyridine
CID 73293612
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 59632859
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 68656629
3-(2,6-dimethyloxan-4-yl)-1-(2-methoxyphenyl)-5-phenylpyrazole
CID 90039997
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
4-[5-(4-bromophenyl)-1-[2-[(dimethylamino)methyl]phenyl]pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 142461445
4-[5-(4-bromophenyl)-1-[2-(methoxymethyl)phenyl]pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 142461493
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide (CID 73294180) is N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide is COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide?
The InChIKey is FGILIOBISLAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-29(2)19-23(20-30(3,4)37-29)24-18-26(34(32-24)25-10-8-9-11-27(25)36-7)21-12-14-22(15-13-21)28(35)31-16-17-33(5)6/h8-15,18,23H,16-17,19-20H2,1-7H3,(H,31,35).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide has a molecular weight of 504.68 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 73294180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).