3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

C20H16F6N4O3 — CID 171093775

IUPAC3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1OC
InChIInChI=1S/C20H16F6N4O3/c1-30-16(18(31)28-10-7-8-27-13(9-10)19(21,22)23)14(20(24,25)26)15(29-30)11-5-4-6-12(32-2)17(11)33-3/h4-9H,1-3H3,(H,27,28,31)
InChIKeyYRFJKZKFHBWHCU-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.79
Rot. Bonds5

About 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093775) has the molecular formula C20H16F6N4O3 and a molecular weight of 474.36 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093775
Molecular FormulaC20H16F6N4O3
Molecular Weight474.36 g/mol
Exact Mass474.11
IUPAC Name3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1OC
InChIInChI=1S/C20H16F6N4O3/c1-30-16(18(31)28-10-7-8-27-13(9-10)19(21,22)23)14(20(24,25)26)15(29-30)11-5-4-6-12(32-2)17(11)33-3/h4-9H,1-3H3,(H,27,28,31)
InChIKeyYRFJKZKFHBWHCU-UHFFFAOYSA-N
XLogP4.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093775) is 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is YRFJKZKFHBWHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O3/c1-30-16(18(31)28-10-7-8-27-13(9-10)19(21,22)23)14(20(24,25)26)15(29-30)11-5-4-6-12(32-2)17(11)33-3/h4-9H,1-3H3,(H,27,28,31).
What are the key properties of 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 474.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).