4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one

C12H16N2O2 — CID 105475857

IUPAC4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one
SMILESCC(C)Cn1c(=O)c2c(O)cccc2n1C
InChIInChI=1S/C12H16N2O2/c1-8(2)7-14-12(16)11-9(13(14)3)5-4-6-10(11)15/h4-6,8,15H,7H2,1-3H3
InChIKeyRCWDSKZYNHPCPI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.70
Rot. Bonds2

About 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one

4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one (PubChem CID 105475857) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one
PubChem CID105475857
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one
SMILESCC(C)Cn1c(=O)c2c(O)cccc2n1C
InChIInChI=1S/C12H16N2O2/c1-8(2)7-14-12(16)11-9(13(14)3)5-4-6-10(11)15/h4-6,8,15H,7H2,1-3H3
InChIKeyRCWDSKZYNHPCPI-UHFFFAOYSA-N
XLogP1.70
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one?
The IUPAC name of 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one (CID 105475857) is 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one.
What is the SMILES notation for 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one?
The canonical SMILES for 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one is CC(C)Cn1c(=O)c2c(O)cccc2n1C.
What is the InChIKey of 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one?
The InChIKey is RCWDSKZYNHPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)7-14-12(16)11-9(13(14)3)5-4-6-10(11)15/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one?
4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one is sourced from PubChem (CID 105475857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).