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

C23H22ClN5O2 — CID 43840877

IUPAC8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3cc(C)ccc3OC)nnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5O2/c1-5-17-20(15-7-6-8-16(24)12-15)22-27-26-21(14(3)29(22)28-17)23(30)25-18-11-13(2)9-10-19(18)31-4/h6-12H,5H2,1-4H3,(H,25,30)
InChIKeyHELYVBCIVSHJSY-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.88
Rot. Bonds5

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

8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 43840877) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID43840877
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3cc(C)ccc3OC)nnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5O2/c1-5-17-20(15-7-6-8-16(24)12-15)22-27-26-21(14(3)29(22)28-17)23(30)25-18-11-13(2)9-10-19(18)31-4/h6-12H,5H2,1-4H3,(H,25,30)
InChIKeyHELYVBCIVSHJSY-UHFFFAOYSA-N
XLogP4.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
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-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652890
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
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-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315009
N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865362
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865347
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652887

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 43840877) is 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1nn2c(C)c(C(=O)Nc3cc(C)ccc3OC)nnc2c1-c1cccc(Cl)c1.
What is the InChIKey of 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is HELYVBCIVSHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-5-17-20(15-7-6-8-16(24)12-15)22-27-26-21(14(3)29(22)28-17)23(30)25-18-11-13(2)9-10-19(18)31-4/h6-12H,5H2,1-4H3,(H,25,30).
What are the key properties of 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 43840877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).