ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate

C23H27N3O6 — CID 56507617

IUPACethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)NCc2cc(OC)c(OC)cc2OC)C1
InChIInChI=1S/C23H27N3O6/c1-5-32-23(28)17-12-18(26(25-17)16-9-7-6-8-10-16)22(27)24-14-15-11-20(30-3)21(31-4)13-19(15)29-2/h6-11,13,18H,5,12,14H2,1-4H3,(H,24,27)
InChIKeyXECQDPLGZLVEPX-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.53
Rot. Bonds9

About ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate

ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56507617) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate
PubChem CID56507617
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Nameethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)NCc2cc(OC)c(OC)cc2OC)C1
InChIInChI=1S/C23H27N3O6/c1-5-32-23(28)17-12-18(26(25-17)16-9-7-6-8-10-16)22(27)24-14-15-11-20(30-3)21(31-4)13-19(15)29-2/h6-11,13,18H,5,12,14H2,1-4H3,(H,24,27)
InChIKeyXECQDPLGZLVEPX-UHFFFAOYSA-N
XLogP2.53
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate (CID 56507617) is ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)NCc2cc(OC)c(OC)cc2OC)C1.
What is the InChIKey of ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is XECQDPLGZLVEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-5-32-23(28)17-12-18(26(25-17)16-9-7-6-8-10-16)22(27)24-14-15-11-20(30-3)21(31-4)13-19(15)29-2/h6-11,13,18H,5,12,14H2,1-4H3,(H,24,27).
What are the key properties of ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 441.48 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56507617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).