8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C20H15BrClN5O2 — CID 30315009

IUPAC8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C
InChIInChI=1S/C20H15BrClN5O2/c1-11-18(20(28)24-16-9-14(22)7-8-17(16)29-2)25-26-19-15(10-23-27(11)19)12-3-5-13(21)6-4-12/h3-10H,1-2H3,(H,24,28)
InChIKeyKZOJXWSMACNAKY-UHFFFAOYSA-N
MW472.73 g/mol
LogP4.78
Rot. Bonds4

About 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30315009) has the molecular formula C20H15BrClN5O2 and a molecular weight of 472.73 g/mol. Its IUPAC name is 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID30315009
Molecular FormulaC20H15BrClN5O2
Molecular Weight472.73 g/mol
Exact Mass471.01
IUPAC Name8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C
InChIInChI=1S/C20H15BrClN5O2/c1-11-18(20(28)24-16-9-14(22)7-8-17(16)29-2)25-26-19-15(10-23-27(11)19)12-3-5-13(21)6-4-12/h3-10H,1-2H3,(H,24,28)
InChIKeyKZOJXWSMACNAKY-UHFFFAOYSA-N
XLogP4.78
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315339
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126176771
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
5-amino-1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)triazole-4-carboxamide
CID 18578875
8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315114
8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43840877
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 30315009) is 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C.
What is the InChIKey of 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is KZOJXWSMACNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN5O2/c1-11-18(20(28)24-16-9-14(22)7-8-17(16)29-2)25-26-19-15(10-23-27(11)19)12-3-5-13(21)6-4-12/h3-10H,1-2H3,(H,24,28).
What are the key properties of 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 472.73 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30315009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).