8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C23H22ClN5O3 — CID 16652870

IUPAC8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3cc(OC)ccc3OC)nnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O3/c1-5-17-20(14-6-8-15(24)9-7-14)22-27-26-21(13(2)29(22)28-17)23(30)25-18-12-16(31-3)10-11-19(18)32-4/h6-12H,5H2,1-4H3,(H,25,30)
InChIKeyYPRVEGFVBQISGJ-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.59
Rot. Bonds6

About 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16652870) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID16652870
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3cc(OC)ccc3OC)nnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O3/c1-5-17-20(14-6-8-15(24)9-7-14)22-27-26-21(13(2)29(22)28-17)23(30)25-18-12-16(31-3)10-11-19(18)32-4/h6-12H,5H2,1-4H3,(H,25,30)
InChIKeyYPRVEGFVBQISGJ-UHFFFAOYSA-N
XLogP4.59
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43840877
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865362
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864238
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652890
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865347
methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228421

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 16652870) is 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1nn2c(C)c(C(=O)Nc3cc(OC)ccc3OC)nnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is YPRVEGFVBQISGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-5-17-20(14-6-8-15(24)9-7-14)22-27-26-21(13(2)29(22)28-17)23(30)25-18-12-16(31-3)10-11-19(18)32-4/h6-12H,5H2,1-4H3,(H,25,30).
What are the key properties of 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).