1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide

C14H11F2N3O2 — CID 82591104

IUPAC1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(F)ccc2F)c2c1C(=O)CCC2
InChIInChI=1S/C14H11F2N3O2/c15-7-4-5-8(16)10(6-7)19-9-2-1-3-11(20)12(9)13(18-19)14(17)21/h4-6H,1-3H2,(H2,17,21)
InChIKeyVIOZCQWAIKTQGL-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.77
Rot. Bonds2

About 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide

1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide (PubChem CID 82591104) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide
PubChem CID82591104
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(F)ccc2F)c2c1C(=O)CCC2
InChIInChI=1S/C14H11F2N3O2/c15-7-4-5-8(16)10(6-7)19-9-2-1-3-11(20)12(9)13(18-19)14(17)21/h4-6H,1-3H2,(H2,17,21)
InChIKeyVIOZCQWAIKTQGL-UHFFFAOYSA-N
XLogP1.77
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-carbamoyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)phenyl]acetic acid
CID 110458513
4-oxo-1-quinolin-2-yl-6,7-dihydro-5H-indazole-3-carboxamide
CID 110458519
4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
CID 110458508
1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide
CID 144793009
1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
1-tert-butyl-3-(3-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 82590841
1-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771404
3-butyl-1-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 4988994
1-(3-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82591029
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39390008
(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166298629

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide (CID 82591104) is 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide is NC(=O)c1nn(-c2cc(F)ccc2F)c2c1C(=O)CCC2.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide?
The InChIKey is VIOZCQWAIKTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-7-4-5-8(16)10(6-7)19-9-2-1-3-11(20)12(9)13(18-19)14(17)21/h4-6H,1-3H2,(H2,17,21).
What are the key properties of 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide?
1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide is sourced from PubChem (CID 82591104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).