8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C23H22BrN5O2 — CID 43864181

IUPAC8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(COC)nn3c2C)cc1
InChIInChI=1S/C23H22BrN5O2/c1-4-15-5-11-18(12-6-15)25-23(30)21-14(2)29-22(27-26-21)20(19(28-29)13-31-3)16-7-9-17(24)10-8-16/h5-12H,4,13H2,1-3H3,(H,25,30)
InChIKeyYFTMSIBRAUWGQU-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.82
Rot. Bonds6

About 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 43864181) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID43864181
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC Name8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(COC)nn3c2C)cc1
InChIInChI=1S/C23H22BrN5O2/c1-4-15-5-11-18(12-6-15)25-23(30)21-14(2)29-22(27-26-21)20(19(28-29)13-31-3)16-7-9-17(24)10-8-16/h5-12H,4,13H2,1-3H3,(H,25,30)
InChIKeyYFTMSIBRAUWGQU-UHFFFAOYSA-N
XLogP4.82
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-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

8-(4-bromophenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198142
N-(4-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864208
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264794
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864238
ethyl 8-(4-bromophenyl)-4-(2-ethoxy-2-oxoethyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43864261
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 43864181) is 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(COC)nn3c2C)cc1.
What is the InChIKey of 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is YFTMSIBRAUWGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-4-15-5-11-18(12-6-15)25-23(30)21-14(2)29-22(27-26-21)20(19(28-29)13-31-3)16-7-9-17(24)10-8-16/h5-12H,4,13H2,1-3H3,(H,25,30).
What are the key properties of 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 43864181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).