4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C21H16F3N5O — CID 17079365

IUPAC4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)nnc2c1-c1ccccc1
InChIInChI=1S/C21H16F3N5O/c1-12-17(14-6-4-3-5-7-14)19-27-26-18(13(2)29(19)28-12)20(30)25-16-10-8-15(9-11-16)21(22,23)24/h3-11H,1-2H3,(H,25,30)
InChIKeyFTAZPFLFAWABGW-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.68
Rot. Bonds3

About 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 17079365) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID17079365
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)nnc2c1-c1ccccc1
InChIInChI=1S/C21H16F3N5O/c1-12-17(14-6-4-3-5-7-14)19-27-26-18(13(2)29(19)28-12)20(30)25-16-10-8-15(9-11-16)21(22,23)24/h3-11H,1-2H3,(H,25,30)
InChIKeyFTAZPFLFAWABGW-UHFFFAOYSA-N
XLogP4.68
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198113
8-(4-bromophenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198142
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315411
2,7-dimethyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338373
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652887
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264794
N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198106
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652890
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 17079365) is 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1nn2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)nnc2c1-c1ccccc1.
What is the InChIKey of 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is FTAZPFLFAWABGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-12-17(14-6-4-3-5-7-14)19-27-26-18(13(2)29(19)28-12)20(30)25-16-10-8-15(9-11-16)21(22,23)24/h3-11H,1-2H3,(H,25,30).
What are the key properties of 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 17079365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).