N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C22H20ClN5O2 — CID 30315260

IUPACN-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccccc1-c1c(C)nn2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)nnc12
InChIInChI=1S/C22H20ClN5O2/c1-12-9-10-15(11-17(12)23)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)16-7-5-6-8-18(16)30-4/h5-11H,1-4H3,(H,24,29)
InChIKeyHRJZLOHLVCFFKL-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.63
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30315260) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID30315260
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccccc1-c1c(C)nn2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)nnc12
InChIInChI=1S/C22H20ClN5O2/c1-12-9-10-15(11-17(12)23)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)16-7-5-6-8-18(16)30-4/h5-11H,1-4H3,(H,24,29)
InChIKeyHRJZLOHLVCFFKL-UHFFFAOYSA-N
XLogP4.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[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

1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335252
N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198117
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
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-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
N-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 42448265
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 30315260) is N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COc1ccccc1-c1c(C)nn2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)nnc12.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is HRJZLOHLVCFFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-12-9-10-15(11-17(12)23)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)16-7-5-6-8-18(16)30-4/h5-11H,1-4H3,(H,24,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30315260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).