N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide

C17H11F6N3O2 — CID 2809606

IUPACN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccco1
InChIInChI=1S/C17H11F6N3O2/c1-26-14(24-15(27)11-6-3-7-28-11)12(13(25-26)17(21,22)23)9-4-2-5-10(8-9)16(18,19)20/h2-8H,1H3,(H,24,27)
InChIKeyBFDDTHIVJSUWSS-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.97
Rot. Bonds3

About N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide

N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide (PubChem CID 2809606) has the molecular formula C17H11F6N3O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide
PubChem CID2809606
Molecular FormulaC17H11F6N3O2
Molecular Weight403.28 g/mol
Exact Mass403.08
IUPAC NameN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccco1
InChIInChI=1S/C17H11F6N3O2/c1-26-14(24-15(27)11-6-3-7-28-11)12(13(25-26)17(21,22)23)9-4-2-5-10(8-9)16(18,19)20/h2-8H,1H3,(H,24,27)
InChIKeyBFDDTHIVJSUWSS-UHFFFAOYSA-N
XLogP4.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide (CID 2809606) is N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide is Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccco1.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is BFDDTHIVJSUWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O2/c1-26-14(24-15(27)11-6-3-7-28-11)12(13(25-26)17(21,22)23)9-4-2-5-10(8-9)16(18,19)20/h2-8H,1H3,(H,24,27).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide?
N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2809606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).