N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C24H27N5O5 — CID 135616304

IUPACN-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)n3nc(C)c(-c4ccc(OC)c(OC)c4)c3NN2)c1
InChIInChI=1S/C24H27N5O5/c1-13-21(15-7-9-19(33-5)20(11-15)34-6)23-27-26-22(14(2)29(23)28-13)24(30)25-17-12-16(31-3)8-10-18(17)32-4/h7-12,26-27H,1-6H3,(H,25,30)
InChIKeySOPJCMMNHMVRSZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.65
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 135616304) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID135616304
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC NameN-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)n3nc(C)c(-c4ccc(OC)c(OC)c4)c3NN2)c1
InChIInChI=1S/C24H27N5O5/c1-13-21(15-7-9-19(33-5)20(11-15)34-6)23-27-26-22(14(2)29(23)28-13)24(30)25-17-12-16(31-3)8-10-18(17)32-4/h7-12,26-27H,1-6H3,(H,25,30)
InChIKeySOPJCMMNHMVRSZ-UHFFFAOYSA-N
XLogP3.65
TPSA107.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
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CID 40567340
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
N-(2,5-dimethoxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061803
N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 135729837
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 135616304) is N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2=C(C)n3nc(C)c(-c4ccc(OC)c(OC)c4)c3NN2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is SOPJCMMNHMVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-13-21(15-7-9-19(33-5)20(11-15)34-6)23-27-26-22(14(2)29(23)28-13)24(30)25-17-12-16(31-3)8-10-18(17)32-4/h7-12,26-27H,1-6H3,(H,25,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 135616304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).