1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C20H14F3N3OS — CID 58138837

IUPAC1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccsc1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-4-1-3-13(9-14)10-24-19(27)16-5-2-6-18-17(16)11-25-26(18)15-7-8-28-12-15/h1-9,11-12H,10H2,(H,24,27)
InChIKeyNJJKTLGAJXPCDM-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.04
Rot. Bonds4

About 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138837) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138837
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC Name1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccsc1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-4-1-3-13(9-14)10-24-19(27)16-5-2-6-18-17(16)11-25-26(18)15-7-8-28-12-15/h1-9,11-12H,10H2,(H,24,27)
InChIKeyNJJKTLGAJXPCDM-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138837) is 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is NJJKTLGAJXPCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c21-20(22,23)14-4-1-3-13(9-14)10-24-19(27)16-5-2-6-18-17(16)11-25-26(18)15-7-8-28-12-15/h1-9,11-12H,10H2,(H,24,27).
What are the key properties of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).