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

C19H17F4N3O2 — CID 90393638

IUPAC4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCc1coc(C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C19H17F4N3O2/c1-4-11-9-28-10(2)17(11)18(27)24-12-5-6-13(14(20)7-12)15-8-16(19(21,22)23)25-26(15)3/h5-9H,4H2,1-3H3,(H,24,27)
InChIKeyPLSHEDHWTBXLNM-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.96
Rot. Bonds4

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

4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 90393638) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID90393638
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCc1coc(C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C19H17F4N3O2/c1-4-11-9-28-10(2)17(11)18(27)24-12-5-6-13(14(20)7-12)15-8-16(19(21,22)23)25-26(15)3/h5-9H,4H2,1-3H3,(H,24,27)
InChIKeyPLSHEDHWTBXLNM-UHFFFAOYSA-N
XLogP4.96
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5433092
N-(4-{N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5454921
N-(3-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 9617778
2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
2-[1-[[4-(1-Benzofuran-3-carbonylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 76070751
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}furan-3-carboxamide
CID 91892641
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 45857117
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796907
2,5-dimethyl-N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}furan-3-carboxamide
CID 72718563
N-[(S)-2-(2-furyl)-1-methylethyl]-3-(p-fluorophenyl)-1-methyl-5-pyrazolecarboxamide
CID 95986015
5-methyl-1-(2-methyl-3-furoyl)-3-(trifluoromethyl)-1H-pyrazole
CID 831987
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl](2-methyl(3-furyl))carboxamide
CID 24208113

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide (CID 90393638) is 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide is CCc1coc(C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.
What is the InChIKey of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is PLSHEDHWTBXLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-4-11-9-28-10(2)17(11)18(27)24-12-5-6-13(14(20)7-12)15-8-16(19(21,22)23)25-26(15)3/h5-9H,4H2,1-3H3,(H,24,27).
What are the key properties of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide?
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 90393638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).