5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid

C10H8Cl2N4O3 — CID 62319186

IUPAC5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C(=O)O
InChIInChI=1S/C10H8Cl2N4O3/c1-19-4-5-8(10(17)18)9(12)16(15-5)7-3-2-6(11)13-14-7/h2-3H,4H2,1H3,(H,17,18)
InChIKeyAQRABMHFJHZFHZ-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid

5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid (PubChem CID 62319186) has the molecular formula C10H8Cl2N4O3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid
PubChem CID62319186
Molecular FormulaC10H8Cl2N4O3
Molecular Weight303.11 g/mol
Exact Mass302.00
IUPAC Name5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C(=O)O
InChIInChI=1S/C10H8Cl2N4O3/c1-19-4-5-8(10(17)18)9(12)16(15-5)7-3-2-6(11)13-14-7/h2-3H,4H2,1H3,(H,17,18)
InChIKeyAQRABMHFJHZFHZ-UHFFFAOYSA-N
XLogP1.81
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid (CID 62319186) is 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid is COCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid?
The InChIKey is AQRABMHFJHZFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O3/c1-19-4-5-8(10(17)18)9(12)16(15-5)7-3-2-6(11)13-14-7/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid?
5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid has a molecular weight of 303.11 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 62319186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).