2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid

C15H20N2O2 — CID 58499284

IUPAC2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)c(C(C)C)nn2CC(=O)O
InChIInChI=1S/C15H20N2O2/c1-9(2)11-5-6-13-12(7-11)15(10(3)4)16-17(13)8-14(18)19/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyVKRHCYCCFVHBHT-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.37
Rot. Bonds4

About 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid

2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid (PubChem CID 58499284) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
PubChem CID58499284
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)c(C(C)C)nn2CC(=O)O
InChIInChI=1S/C15H20N2O2/c1-9(2)11-5-6-13-12(7-11)15(10(3)4)16-17(13)8-14(18)19/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyVKRHCYCCFVHBHT-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid (CID 58499284) is 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid is CC(C)c1ccc2c(c1)c(C(C)C)nn2CC(=O)O.
What is the InChIKey of 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid?
The InChIKey is VKRHCYCCFVHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)11-5-6-13-12(7-11)15(10(3)4)16-17(13)8-14(18)19/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid?
2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid has a molecular weight of 260.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 58499284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).