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

C22H17F4N5O — CID 16652890

IUPAC7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17F4N5O/c1-3-16-18(13-8-10-14(23)11-9-13)20-29-28-19(12(2)31(20)30-16)21(32)27-17-7-5-4-6-15(17)22(24,25)26/h4-11H,3H2,1-2H3,(H,27,32)
InChIKeyIZHAFGDKIOSAFO-UHFFFAOYSA-N
MW443.40 g/mol
LogP5.07
Rot. Bonds4

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

7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16652890) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID16652890
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17F4N5O/c1-3-16-18(13-8-10-14(23)11-9-13)20-29-28-19(12(2)31(20)30-16)21(32)27-17-7-5-4-6-15(17)22(24,25)26/h4-11H,3H2,1-2H3,(H,27,32)
InChIKeyIZHAFGDKIOSAFO-UHFFFAOYSA-N
XLogP5.07
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 16652890) is 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is IZHAFGDKIOSAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-3-16-18(13-8-10-14(23)11-9-13)20-29-28-19(12(2)31(20)30-16)21(32)27-17-7-5-4-6-15(17)22(24,25)26/h4-11H,3H2,1-2H3,(H,27,32).
What are the key properties of 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 443.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(4-fluorophenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16652890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).