[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate

C30H32N4O5 — CID 42838406

IUPAC[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate
SMILESCCCNC(=O)Nc1ccc(-c2c(-c3ccc(OC)c(OC)c3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1
InChIInChI=1S/C30H32N4O5/c1-6-16-31-30(36)32-23-13-10-21(11-14-23)27-28(22-12-15-25(37-4)26(18-22)38-5)33-34(29(27)39-20(3)35)24-9-7-8-19(2)17-24/h7-15,17-18H,6,16H2,1-5H3,(H2,31,32,36)
InChIKeySNIDMCYYVVVZIX-UHFFFAOYSA-N
MW528.61 g/mol
LogP5.99
Rot. Bonds9

About [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate

[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate (PubChem CID 42838406) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate
PubChem CID42838406
Molecular FormulaC30H32N4O5
Molecular Weight528.61 g/mol
Exact Mass528.24
IUPAC Name[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate
SMILESCCCNC(=O)Nc1ccc(-c2c(-c3ccc(OC)c(OC)c3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1
InChIInChI=1S/C30H32N4O5/c1-6-16-31-30(36)32-23-13-10-21(11-14-23)27-28(22-12-15-25(37-4)26(18-22)38-5)33-34(29(27)39-20(3)35)24-9-7-8-19(2)17-24/h7-15,17-18H,6,16H2,1-5H3,(H2,31,32,36)
InChIKeySNIDMCYYVVVZIX-UHFFFAOYSA-N
XLogP5.99
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate 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

[3-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate
CID 46150840
[4-[4-[(3-bromobenzoyl)amino]phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 42838229
[3-(3,4-dimethoxyphenyl)-4-[4-(3,3-dimethylbutanoylamino)phenyl]-1-(3-fluorophenyl)pyrazol-5-yl] acetate
CID 46150711
[3-(3,4-dimethoxyphenyl)-4-[4-[(3-fluorobenzoyl)amino]phenyl]-1-(4-methylphenyl)pyrazol-5-yl] acetate
CID 42838194
[4-(4-benzamidophenyl)-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 46013587
[3-(4-methoxyphenyl)-4-[4-[(2-methylbenzoyl)amino]phenyl]-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 42837966
[3-(3,4-dimethoxyphenyl)-4-[4-(furan-2-carbonylamino)phenyl]-1-phenylpyrazol-5-yl] acetate
CID 46150698
[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate
CID 46013881
[3-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-[4-[(2-phenylacetyl)amino]phenyl]pyrazol-5-yl] acetate
CID 42838275
[4-[4-[(4-methylbenzoyl)amino]phenyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-yl] acetate
CID 46013709
[3-(3-methylphenyl)-1-(4-methylphenyl)-4-[4-[(2-phenylacetyl)amino]phenyl]pyrazol-5-yl] acetate
CID 42838346
[4-[4-(3,3-dimethylbutanoylamino)phenyl]-1-(3-methylphenyl)-3-propylpyrazol-5-yl] acetate
CID 42838003

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate (CID 42838406) is [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate is CCCNC(=O)Nc1ccc(-c2c(-c3ccc(OC)c(OC)c3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate?
The InChIKey is SNIDMCYYVVVZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O5/c1-6-16-31-30(36)32-23-13-10-21(11-14-23)27-28(22-12-15-25(37-4)26(18-22)38-5)33-34(29(27)39-20(3)35)24-9-7-8-19(2)17-24/h7-15,17-18H,6,16H2,1-5H3,(H2,31,32,36).
What are the key properties of [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate?
[3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate has a molecular weight of 528.61 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-[4-(propylcarbamoylamino)phenyl]pyrazol-5-yl] acetate is sourced from PubChem (CID 42838406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).