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

C23H23N5O3 — CID 29264794

IUPACN-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)cc1
InChIInChI=1S/C23H23N5O3/c1-4-31-18-12-10-17(11-13-18)24-23(29)21-15(2)28-22(26-25-21)20(19(27-28)14-30-3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyBBQVDOBTGMTDOK-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.90
Rot. Bonds7

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

N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 29264794) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID29264794
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)cc1
InChIInChI=1S/C23H23N5O3/c1-4-31-18-12-10-17(11-13-18)24-23(29)21-15(2)28-22(26-25-21)20(19(27-28)14-30-3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyBBQVDOBTGMTDOK-UHFFFAOYSA-N
XLogP3.90
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17079365

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 29264794) is N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCOc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is BBQVDOBTGMTDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-31-18-12-10-17(11-13-18)24-23(29)21-15(2)28-22(26-25-21)20(19(27-28)14-30-3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,24,29).
What are the key properties of N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 29264794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).