N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide

C18H14F5N5O2 — CID 118130759

IUPACN-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C(F)(F)F)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1
InChIInChI=1S/C18H14F5N5O2/c1-3-30-15-4-10(18(21,22)23)9(6-25-15)14-5-13(27-28(14)2)17(29)26-16-11(19)7-24-8-12(16)20/h4-8H,3H2,1-2H3,(H,24,26,29)
InChIKeyFTXSDLSQVBEKGI-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.83
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118130759) has the molecular formula C18H14F5N5O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
PubChem CID118130759
Molecular FormulaC18H14F5N5O2
Molecular Weight427.33 g/mol
Exact Mass427.11
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C(F)(F)F)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1
InChIInChI=1S/C18H14F5N5O2/c1-3-30-15-4-10(18(21,22)23)9(6-25-15)14-5-13(27-28(14)2)17(29)26-16-11(19)7-24-8-12(16)20/h4-8H,3H2,1-2H3,(H,24,26,29)
InChIKeyFTXSDLSQVBEKGI-UHFFFAOYSA-N
XLogP3.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide (CID 118130759) is N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide is CCOc1cc(C(F)(F)F)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FTXSDLSQVBEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N5O2/c1-3-30-15-4-10(18(21,22)23)9(6-25-15)14-5-13(27-28(14)2)17(29)26-16-11(19)7-24-8-12(16)20/h4-8H,3H2,1-2H3,(H,24,26,29).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-[6-ethoxy-4-(trifluoromethyl)-3-pyridinyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).