2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid

C16H16N4O4 — CID 90032872

IUPAC2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(OCc3ccn(C)n3)cc12
InChIInChI=1S/C16H16N4O4/c1-10(21)16-13-7-12(24-9-11-5-6-19(2)17-11)3-4-14(13)20(18-16)8-15(22)23/h3-7H,8-9H2,1-2H3,(H,22,23)
InChIKeyVFOYNUZQOMSDSU-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.64
Rot. Bonds6

About 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid

2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid (PubChem CID 90032872) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid
PubChem CID90032872
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(OCc3ccn(C)n3)cc12
InChIInChI=1S/C16H16N4O4/c1-10(21)16-13-7-12(24-9-11-5-6-19(2)17-11)3-4-14(13)20(18-16)8-15(22)23/h3-7H,8-9H2,1-2H3,(H,22,23)
InChIKeyVFOYNUZQOMSDSU-UHFFFAOYSA-N
XLogP1.64
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid (CID 90032872) is 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid is CC(=O)c1nn(CC(=O)O)c2ccc(OCc3ccn(C)n3)cc12.
What is the InChIKey of 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid?
The InChIKey is VFOYNUZQOMSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10(21)16-13-7-12(24-9-11-5-6-19(2)17-11)3-4-14(13)20(18-16)8-15(22)23/h3-7H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid?
2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid has a molecular weight of 328.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid is sourced from PubChem (CID 90032872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).