N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C22H20FN5O2 — CID 17198106

IUPACN-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C
InChIInChI=1S/C22H20FN5O2/c1-4-30-18-8-6-5-7-17(18)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)15-9-11-16(23)12-10-15/h5-12H,4H2,1-3H3,(H,24,29)
InChIKeyOALUSAYSCYXRDM-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.20
Rot. Bonds5

About N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 17198106) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID17198106
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C
InChIInChI=1S/C22H20FN5O2/c1-4-30-18-8-6-5-7-17(18)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)15-9-11-16(23)12-10-15/h5-12H,4H2,1-3H3,(H,24,29)
InChIKeyOALUSAYSCYXRDM-UHFFFAOYSA-N
XLogP4.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652890
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228421
4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17079365
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
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-[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
ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035682
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 17198106) is N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is OALUSAYSCYXRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-4-30-18-8-6-5-7-17(18)24-22(29)20-14(3)28-21(26-25-20)19(13(2)27-28)15-9-11-16(23)12-10-15/h5-12H,4H2,1-3H3,(H,24,29).
What are the key properties of N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-8-(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 17198106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).