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

C20H15F6N3O2 — CID 11476273

IUPAC1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C20H15F6N3O2/c1-31-16-8-3-2-7-15(16)29-17(20(24,25)26)14(11-28-29)18(30)27-10-12-5-4-6-13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,27,30)
InChIKeyJGYZWEZPCQPXPP-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.85
Rot. Bonds5

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

1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 11476273) has the molecular formula C20H15F6N3O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID11476273
Molecular FormulaC20H15F6N3O2
Molecular Weight443.35 g/mol
Exact Mass443.11
IUPAC Name1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C20H15F6N3O2/c1-31-16-8-3-2-7-15(16)29-17(20(24,25)26)14(11-28-29)18(30)27-10-12-5-4-6-13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,27,30)
InChIKeyJGYZWEZPCQPXPP-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 11476273) is 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is COc1ccccc1-n1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JGYZWEZPCQPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O2/c1-31-16-8-3-2-7-15(16)29-17(20(24,25)26)14(11-28-29)18(30)27-10-12-5-4-6-13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,27,30).
What are the key properties of 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 11476273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).