4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide

C15H10F3N3O — CID 155410660

IUPAC4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22/h1-7H,(H2,19,22)(H,20,21)
InChIKeyQOQIPLYRQWKEHA-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.35
Rot. Bonds2

About 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide

4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide (PubChem CID 155410660) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide
PubChem CID155410660
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22/h1-7H,(H2,19,22)(H,20,21)
InChIKeyQOQIPLYRQWKEHA-UHFFFAOYSA-N
XLogP3.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide (CID 155410660) is 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide is NC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide?
The InChIKey is QOQIPLYRQWKEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22/h1-7H,(H2,19,22)(H,20,21).
What are the key properties of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide?
4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide has a molecular weight of 305.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 155410660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).