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

C21H16F3N3O2 — CID 118335535

IUPAC3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H16F3N3O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKeyLZKAGNGOGDPMDD-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.26
Rot. Bonds4

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

3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (PubChem CID 118335535) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
PubChem CID118335535
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H16F3N3O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKeyLZKAGNGOGDPMDD-UHFFFAOYSA-N
XLogP5.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809605
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 934278
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
CID 664852
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
N-(1-ethyl-6-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 943657
N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (CID 118335535) is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The InChIKey is LZKAGNGOGDPMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28).
What are the key properties of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide has a molecular weight of 399.37 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 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 118335535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).