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

C24H25N5O4 — CID 43864222

IUPACN-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C
InChIInChI=1S/C24H25N5O4/c1-5-33-20-9-7-6-8-18(20)25-24(30)22-15(2)29-23(27-26-22)21(19(28-29)14-31-3)16-10-12-17(32-4)13-11-16/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyZGRVZIFFGPRRBX-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.91
Rot. Bonds8

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

N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 43864222) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID43864222
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C
InChIInChI=1S/C24H25N5O4/c1-5-33-20-9-7-6-8-18(20)25-24(30)22-15(2)29-23(27-26-22)21(19(28-29)14-31-3)16-10-12-17(32-4)13-11-16/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyZGRVZIFFGPRRBX-UHFFFAOYSA-N
XLogP3.91
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198106
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
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
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315411
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 43864222) is N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is ZGRVZIFFGPRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-5-33-20-9-7-6-8-18(20)25-24(30)22-15(2)29-23(27-26-22)21(19(28-29)14-31-3)16-10-12-17(32-4)13-11-16/h6-13H,5,14H2,1-4H3,(H,25,30).
What are the key properties of N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 43864222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).