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

C21H18ClN5O — CID 30315114

IUPAC8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)cnn3c2C)cc1
InChIInChI=1S/C21H18ClN5O/c1-3-14-7-9-17(10-8-14)24-21(28)19-13(2)27-20(26-25-19)18(12-23-27)15-5-4-6-16(22)11-15/h4-12H,3H2,1-2H3,(H,24,28)
InChIKeySQYIUUUMOHAHQP-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.57
Rot. Bonds4

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

8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30315114) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID30315114
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)cnn3c2C)cc1
InChIInChI=1S/C21H18ClN5O/c1-3-14-7-9-17(10-8-14)24-21(28)19-13(2)27-20(26-25-19)18(12-23-27)15-5-4-6-16(22)11-15/h4-12H,3H2,1-2H3,(H,24,28)
InChIKeySQYIUUUMOHAHQP-UHFFFAOYSA-N
XLogP4.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
8-(4-bromophenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198142
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 7386062
8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43840877
3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46084720
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
CID 46215994
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
3-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628380
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 30315114) is 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)cnn3c2C)cc1.
What is the InChIKey of 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is SQYIUUUMOHAHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-3-14-7-9-17(10-8-14)24-21(28)19-13(2)27-20(26-25-19)18(12-23-27)15-5-4-6-16(22)11-15/h4-12H,3H2,1-2H3,(H,24,28).
What are the key properties of 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30315114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).