4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

C28H36N4O5 — CID 67569052

IUPAC4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCN(CC)CCNC(=O)c1ccc(-c2c(-c3c(OC)cccc3OC)n[nH]c2C(=O)O)cc1C(C)C
InChIInChI=1S/C28H36N4O5/c1-7-32(8-2)15-14-29-27(33)19-13-12-18(16-20(19)17(3)4)23-25(30-31-26(23)28(34)35)24-21(36-5)10-9-11-22(24)37-6/h9-13,16-17H,7-8,14-15H2,1-6H3,(H,29,33)(H,30,31)(H,34,35)
InChIKeySZENRASYMYOCAD-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.65
Rot. Bonds12

About 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 67569052) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID67569052
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCN(CC)CCNC(=O)c1ccc(-c2c(-c3c(OC)cccc3OC)n[nH]c2C(=O)O)cc1C(C)C
InChIInChI=1S/C28H36N4O5/c1-7-32(8-2)15-14-29-27(33)19-13-12-18(16-20(19)17(3)4)23-25(30-31-26(23)28(34)35)24-21(36-5)10-9-11-22(24)37-6/h9-13,16-17H,7-8,14-15H2,1-6H3,(H,29,33)(H,30,31)(H,34,35)
InChIKeySZENRASYMYOCAD-UHFFFAOYSA-N
XLogP4.65
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid 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

N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
CID 142899826
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
CID 90810207
N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide
CID 91067817
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
CID 58730741
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 67569052) is 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is CCN(CC)CCNC(=O)c1ccc(-c2c(-c3c(OC)cccc3OC)n[nH]c2C(=O)O)cc1C(C)C.
What is the InChIKey of 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is SZENRASYMYOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-7-32(8-2)15-14-29-27(33)19-13-12-18(16-20(19)17(3)4)23-25(30-31-26(23)28(34)35)24-21(36-5)10-9-11-22(24)37-6/h9-13,16-17H,7-8,14-15H2,1-6H3,(H,29,33)(H,30,31)(H,34,35).
What are the key properties of 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 508.62 g/mol, XLogP of 4.65, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(diethylamino)ethylcarbamoyl]-3-propan-2-ylphenyl]-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 67569052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).