5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid

C7H9ClN2O3 — CID 62319187

IUPAC5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOCc1nn(C)c(Cl)c1C(=O)O
InChIInChI=1S/C7H9ClN2O3/c1-10-6(8)5(7(11)12)4(9-10)3-13-2/h3H2,1-2H3,(H,11,12)
InChIKeyFBCMVYYLJMOXLG-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.92
Rot. Bonds3

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

5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 62319187) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID62319187
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOCc1nn(C)c(Cl)c1C(=O)O
InChIInChI=1S/C7H9ClN2O3/c1-10-6(8)5(7(11)12)4(9-10)3-13-2/h3H2,1-2H3,(H,11,12)
InChIKeyFBCMVYYLJMOXLG-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid (CID 62319187) is 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid is COCc1nn(C)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is FBCMVYYLJMOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-10-6(8)5(7(11)12)4(9-10)3-13-2/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid?
5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 204.61 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 62319187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).