5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid

C10H9ClN4O3 — CID 103294245

IUPAC5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2cccnn2)c(Cl)c1C(=O)O
InChIInChI=1S/C10H9ClN4O3/c1-18-5-6-8(10(16)17)9(11)15(14-6)7-3-2-4-12-13-7/h2-4H,5H2,1H3,(H,16,17)
InChIKeyJGAPEXKJBMNONG-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.16
Rot. Bonds4

About 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid

5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid (PubChem CID 103294245) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid
PubChem CID103294245
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2cccnn2)c(Cl)c1C(=O)O
InChIInChI=1S/C10H9ClN4O3/c1-18-5-6-8(10(16)17)9(11)15(14-6)7-3-2-4-12-13-7/h2-4H,5H2,1H3,(H,16,17)
InChIKeyJGAPEXKJBMNONG-UHFFFAOYSA-N
XLogP1.16
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid (CID 103294245) is 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid is COCc1nn(-c2cccnn2)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is JGAPEXKJBMNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-18-5-6-8(10(16)17)9(11)15(14-6)7-3-2-4-12-13-7/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 268.66 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 103294245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).