2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide

C15H14F3N3O2 — CID 122138635

IUPAC2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-2-4-11(13(22)5-9)14(23)20-10-3-1-8-7-19-21-12(8)6-10/h2,4-5,7,10,22H,1,3,6H2,(H,19,21)(H,20,23)
InChIKeyLIGZMFOASYSSHF-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.42
Rot. Bonds2

About 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide

2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122138635) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide
PubChem CID122138635
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-2-4-11(13(22)5-9)14(23)20-10-3-1-8-7-19-21-12(8)6-10/h2,4-5,7,10,22H,1,3,6H2,(H,19,21)(H,20,23)
InChIKeyLIGZMFOASYSSHF-UHFFFAOYSA-N
XLogP2.42
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide (CID 122138635) is 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide is O=C(NC1CCc2cn[nH]c2C1)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is LIGZMFOASYSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)9-2-4-11(13(22)5-9)14(23)20-10-3-1-8-7-19-21-12(8)6-10/h2,4-5,7,10,22H,1,3,6H2,(H,19,21)(H,20,23).
What are the key properties of 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide?
2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).