1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

C28H29N3O5 — CID 55382205

IUPAC1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(OC)c(OC)cc2OC)c1
InChIInChI=1S/C28H29N3O5/c1-33-22-12-8-11-20(13-22)27-23(18-31(30-27)17-19-9-6-5-7-10-19)28(32)29-16-21-14-25(35-3)26(36-4)15-24(21)34-2/h5-15,18H,16-17H2,1-4H3,(H,29,32)
InChIKeyPSYAFSIGNYLQJD-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.56
Rot. Bonds10

About 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 55382205) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID55382205
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(OC)c(OC)cc2OC)c1
InChIInChI=1S/C28H29N3O5/c1-33-22-12-8-11-20(13-22)27-23(18-31(30-27)17-19-9-6-5-7-10-19)28(32)29-16-21-14-25(35-3)26(36-4)15-24(21)34-2/h5-15,18H,16-17H2,1-4H3,(H,29,32)
InChIKeyPSYAFSIGNYLQJD-UHFFFAOYSA-N
XLogP4.56
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide 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

1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
1-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 120653115
1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 112772180
methyl 4-[2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 55512860
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 38528549
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-3-(3-methoxyphenyl)-N-(2-methyl-3-nitrophenyl)pyrazole-4-carboxamide
CID 112772186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 55382205) is 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(OC)c(OC)cc2OC)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is PSYAFSIGNYLQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-33-22-12-8-11-20(13-22)27-23(18-31(30-27)17-19-9-6-5-7-10-19)28(32)29-16-21-14-25(35-3)26(36-4)15-24(21)34-2/h5-15,18H,16-17H2,1-4H3,(H,29,32).
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55382205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).