1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

C20H14F6N6O — CID 171093563

IUPAC1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc3cnn(C)c23)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N6O/c1-31-16-10(9-28-31)4-3-5-12(16)15-14(20(24,25)26)17(32(2)30-15)18(33)29-11-6-7-27-13(8-11)19(21,22)23/h3-9H,1-2H3,(H,27,29,33)
InChIKeyQVKPTFXVXRZODU-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.66
Rot. Bonds3

About 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093563) has the molecular formula C20H14F6N6O and a molecular weight of 468.36 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093563
Molecular FormulaC20H14F6N6O
Molecular Weight468.36 g/mol
Exact Mass468.11
IUPAC Name1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc3cnn(C)c23)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N6O/c1-31-16-10(9-28-31)4-3-5-12(16)15-14(20(24,25)26)17(32(2)30-15)18(33)29-11-6-7-27-13(8-11)19(21,22)23/h3-9H,1-2H3,(H,27,29,33)
InChIKeyQVKPTFXVXRZODU-UHFFFAOYSA-N
XLogP4.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093682
1-methyl-3-(3-oxo-4H-1,4-benzoxazin-8-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093636
1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093549
1-methyl-3-[[2-[3-[methyl-[1-methyl-4-(trifluoromethyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]pyrazol-3-yl]amino]phenyl]phenoxy]methyl]-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093794
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171093837
4-cyclopropyl-3-(2-methylbenzotriazol-4-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095920
1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
CID 156577181
N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 171093850
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
CID 166528731
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093563) is 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is Cn1nc(-c2cccc3cnn(C)c23)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is QVKPTFXVXRZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N6O/c1-31-16-10(9-28-31)4-3-5-12(16)15-14(20(24,25)26)17(32(2)30-15)18(33)29-11-6-7-27-13(8-11)19(21,22)23/h3-9H,1-2H3,(H,27,29,33).
What are the key properties of 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).