5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide

C18H12F7N3O2 — CID 164624170

IUPAC5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1
InChIInChI=1S/C18H12F7N3O2/c1-9-6-10(19)2-4-12(9)26-16(29)13-5-3-11(30-13)8-28-15(18(23,24)25)7-14(27-28)17(20,21)22/h2-7H,8H2,1H3,(H,26,29)
InChIKeyQMFRQUNEOAUXKY-UHFFFAOYSA-N
MW435.30 g/mol
LogP5.26
Rot. Bonds4

About 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide

5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 164624170) has the molecular formula C18H12F7N3O2 and a molecular weight of 435.30 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID164624170
Molecular FormulaC18H12F7N3O2
Molecular Weight435.30 g/mol
Exact Mass435.08
IUPAC Name5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1
InChIInChI=1S/C18H12F7N3O2/c1-9-6-10(19)2-4-12(9)26-16(29)13-5-3-11(30-13)8-28-15(18(23,24)25)7-14(27-28)17(20,21)22/h2-7H,8H2,1H3,(H,26,29)
InChIKeyQMFRQUNEOAUXKY-UHFFFAOYSA-N
XLogP5.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.30
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-3-cyano-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 91301643
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
CID 22331944
1-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-3-chloro-2-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 86656105
2-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-1-N-butan-2-yl-3-chlorobenzene-1,2-dicarboxamide
CID 88919668
1-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-3-chloro-2-N-pentan-3-ylbenzene-1,2-dicarboxamide
CID 91497675
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
2-[[2-[2-[[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]carbamoyl]-6-chlorophenyl]-2-oxoethyl]amino]propanoic acid
CID 87350279
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
CID 46968495
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
6-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-2,2,3,3-tetrafluoro-5-N-[(2R)-1-methylsulfanylpropan-2-yl]-1,4-benzodioxine-5,6-dicarboxamide
CID 44632527
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
1-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-3-chloro-2-N-(2-methyl-1-phenylmethoxypropan-2-yl)benzene-1,2-dicarboxamide
CID 91287412

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (CID 164624170) is 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is QMFRQUNEOAUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F7N3O2/c1-9-6-10(19)2-4-12(9)26-16(29)13-5-3-11(30-13)8-28-15(18(23,24)25)7-14(27-28)17(20,21)22/h2-7H,8H2,1H3,(H,26,29).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 164624170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).