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

C23H27N3O4 — CID 26446623

IUPAC1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C23H27N3O4/c1-15-22(16(2)26(25-15)14-17-9-7-6-8-10-17)23(27)24-13-18-11-20(29-4)21(30-5)12-19(18)28-3/h6-12H,13-14H2,1-5H3,(H,24,27)
InChIKeyOKLQYHQXQAGUAZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.50
Rot. Bonds8

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

1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 26446623) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID26446623
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C23H27N3O4/c1-15-22(16(2)26(25-15)14-17-9-7-6-8-10-17)23(27)24-13-18-11-20(29-4)21(30-5)12-19(18)28-3/h6-12H,13-14H2,1-5H3,(H,24,27)
InChIKeyOKLQYHQXQAGUAZ-UHFFFAOYSA-N
XLogP3.50
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55595610
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 34438181
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 24610858
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-3-methoxybenzamide
CID 8944138
1-benzyl-3,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56523307
5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 146086480
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24504449
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 26446623) is 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is OKLQYHQXQAGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-22(16(2)26(25-15)14-17-9-7-6-8-10-17)23(27)24-13-18-11-20(29-4)21(30-5)12-19(18)28-3/h6-12H,13-14H2,1-5H3,(H,24,27).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 26446623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).