2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

C11H11ClN4O2 — CID 16770404

IUPAC2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H11ClN4O2/c1-6-8(5-11(17)18)7(2)16(15-6)10-4-3-9(12)13-14-10/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyQKUVWPUMDUHPOZ-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.56
Rot. Bonds3

About 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 16770404) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID16770404
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H11ClN4O2/c1-6-8(5-11(17)18)7(2)16(15-6)10-4-3-9(12)13-14-10/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyQKUVWPUMDUHPOZ-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 16770404) is 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(-c2ccc(Cl)nn2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is QKUVWPUMDUHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-8(5-11(17)18)7(2)16(15-6)10-4-3-9(12)13-14-10/h3-4H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 266.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 16770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).