1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole

C20H20F6N6O — CID 177051164

IUPAC1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCc1c(-n2cc3c(n2)CCCC3)ccnc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H14F3N3.C6H6F3N3O/c1-9-12(6-7-18-13(9)14(15,16)17)20-8-10-4-2-3-5-11(10)19-20;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h6-8H,2-5H2,1H3;2H,1H3,(H2,10,13)
InChIKeyGYLYJGLLALZRMA-UHFFFAOYSA-N
MW474.41 g/mol
LogP4.01
Rot. Bonds2

About 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole

1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole (PubChem CID 177051164) has the molecular formula C20H20F6N6O and a molecular weight of 474.41 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole
PubChem CID177051164
Molecular FormulaC20H20F6N6O
Molecular Weight474.41 g/mol
Exact Mass474.16
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCc1c(-n2cc3c(n2)CCCC3)ccnc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H14F3N3.C6H6F3N3O/c1-9-12(6-7-18-13(9)14(15,16)17)20-8-10-4-2-3-5-11(10)19-20;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h6-8H,2-5H2,1H3;2H,1H3,(H2,10,13)
InChIKeyGYLYJGLLALZRMA-UHFFFAOYSA-N
XLogP4.01
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole (CID 177051164) is 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole is Cc1c(-n2cc3c(n2)CCCC3)ccnc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is GYLYJGLLALZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3.C6H6F3N3O/c1-9-12(6-7-18-13(9)14(15,16)17)20-8-10-4-2-3-5-11(10)19-20;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h6-8H,2-5H2,1H3;2H,1H3,(H2,10,13).
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole?
1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 474.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 177051164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).