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

C19H14F6N4O2 — CID 171093601

IUPAC3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C19H14F6N4O2/c1-29-16(17(30)27-10-7-8-26-13(9-10)18(20,21)22)14(19(23,24)25)15(28-29)11-5-3-4-6-12(11)31-2/h3-9H,1-2H3,(H,26,27,30)
InChIKeyUYWBWPRXXGYZET-UHFFFAOYSA-N
MW444.34 g/mol
LogP4.78
Rot. Bonds4

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

3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093601) has the molecular formula C19H14F6N4O2 and a molecular weight of 444.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093601
Molecular FormulaC19H14F6N4O2
Molecular Weight444.34 g/mol
Exact Mass444.10
IUPAC Name3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C19H14F6N4O2/c1-29-16(17(30)27-10-7-8-26-13(9-10)18(20,21)22)14(19(23,24)25)15(28-29)11-5-3-4-6-12(11)31-2/h3-9H,1-2H3,(H,26,27,30)
InChIKeyUYWBWPRXXGYZET-UHFFFAOYSA-N
XLogP4.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093601) is 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is COc1ccccc1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is UYWBWPRXXGYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O2/c1-29-16(17(30)27-10-7-8-26-13(9-10)18(20,21)22)14(19(23,24)25)15(28-29)11-5-3-4-6-12(11)31-2/h3-9H,1-2H3,(H,26,27,30).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 444.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).