4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide

C16H14F3N3O2 — CID 110458508

IUPAC4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24)
InChIKeyFQITZSVDZHRGLR-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.57
Rot. Bonds3

About 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide

4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide (PubChem CID 110458508) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
PubChem CID110458508
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24)
InChIKeyFQITZSVDZHRGLR-UHFFFAOYSA-N
XLogP2.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The IUPAC name of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide (CID 110458508) is 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide.
What is the SMILES notation for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The canonical SMILES for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide is NC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2.
What is the InChIKey of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The InChIKey is FQITZSVDZHRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24).
What are the key properties of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide is sourced from PubChem (CID 110458508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).