methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate

C28H36N4O6 — CID 139796076

IUPACmethyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
SMILESCCN(CC)CC(C)NC(=O)c1ccc(-n2nc(C(=O)OC)cc2-c2c(OC)cccc2OC)c(OC)c1
InChIInChI=1S/C28H36N4O6/c1-8-31(9-2)17-18(3)29-27(33)19-13-14-21(25(15-19)37-6)32-22(16-20(30-32)28(34)38-7)26-23(35-4)11-10-12-24(26)36-5/h10-16,18H,8-9,17H2,1-7H3,(H,29,33)
InChIKeyMGCUEPIRHFWYKX-UHFFFAOYSA-N
MW524.62 g/mol
LogP3.81
Rot. Bonds12

About methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate

methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate (PubChem CID 139796076) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
PubChem CID139796076
Molecular FormulaC28H36N4O6
Molecular Weight524.62 g/mol
Exact Mass524.26
IUPAC Namemethyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
SMILESCCN(CC)CC(C)NC(=O)c1ccc(-n2nc(C(=O)OC)cc2-c2c(OC)cccc2OC)c(OC)c1
InChIInChI=1S/C28H36N4O6/c1-8-31(9-2)17-18(3)29-27(33)19-13-14-21(25(15-19)37-6)32-22(16-20(30-32)28(34)38-7)26-23(35-4)11-10-12-24(26)36-5/h10-16,18H,8-9,17H2,1-7H3,(H,29,33)
InChIKeyMGCUEPIRHFWYKX-UHFFFAOYSA-N
XLogP3.81
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate 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

ethyl 1-(4-carbonochloridoyl-2-propan-2-ylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
CID 54074888
methyl 1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
CID 66781547
methyl 5-(2,6-dimethoxyphenyl)-1-[4-[methyl-[3-[methyl(phenylmethoxycarbonyl)amino]propyl]carbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carboxylate
CID 70244915
methyl (4R)-4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-oxopentanoate
CID 139393478
methyl 5-(2,6-dimethoxyphenyl)-1-[4-[methyl-[3-[methyl-[3-(tritylamino)propyl]amino]propyl]carbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carboxylate
CID 176610537
5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 118395913
5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
CID 23364588
3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
CID 113244838
4-[5-(2,6-dimethoxyphenyl)-3-ethoxycarbonylpyrazol-1-yl]-2-propan-2-ylbenzoic acid
CID 54558396
2-[[5-(2,6-dimethoxyphenyl)-1-[4-(heptylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
CID 102114005
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
2-[[1-[4-[3-(diethylamino)propanoylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid;hydrochloride
CID 70245463

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate (CID 139796076) is methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate is CCN(CC)CC(C)NC(=O)c1ccc(-n2nc(C(=O)OC)cc2-c2c(OC)cccc2OC)c(OC)c1.
What is the InChIKey of methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is MGCUEPIRHFWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O6/c1-8-31(9-2)17-18(3)29-27(33)19-13-14-21(25(15-19)37-6)32-22(16-20(30-32)28(34)38-7)26-23(35-4)11-10-12-24(26)36-5/h10-16,18H,8-9,17H2,1-7H3,(H,29,33).
What are the key properties of methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate?
methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 524.62 g/mol, XLogP of 3.81, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[1-(diethylamino)propan-2-ylcarbamoyl]-2-methoxyphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 139796076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).