4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide

C15H16FN3O3 — CID 170650639

IUPAC4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC1(O)Cc2[nH][nH]c(=O)c2C(c2ccc(F)cc2)C1C(N)=O
InChIInChI=1S/C15H16FN3O3/c1-15(22)6-9-11(14(21)19-18-9)10(12(15)13(17)20)7-2-4-8(16)5-3-7/h2-5,10,12,22H,6H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyHRMRYYDWKXSIFS-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.38
Rot. Bonds2

About 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide

4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 170650639) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID170650639
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC1(O)Cc2[nH][nH]c(=O)c2C(c2ccc(F)cc2)C1C(N)=O
InChIInChI=1S/C15H16FN3O3/c1-15(22)6-9-11(14(21)19-18-9)10(12(15)13(17)20)7-2-4-8(16)5-3-7/h2-5,10,12,22H,6H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyHRMRYYDWKXSIFS-UHFFFAOYSA-N
XLogP0.38
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide (CID 170650639) is 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide is CC1(O)Cc2[nH][nH]c(=O)c2C(c2ccc(F)cc2)C1C(N)=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is HRMRYYDWKXSIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-15(22)6-9-11(14(21)19-18-9)10(12(15)13(17)20)7-2-4-8(16)5-3-7/h2-5,10,12,22H,6H2,1H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide?
4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 170650639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).