4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid

C7H9ClN2O3 — CID 155291531

IUPAC4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
SMILESCOCCn1cc(Cl)c(C(=O)O)n1
InChIInChI=1S/C7H9ClN2O3/c1-13-3-2-10-4-5(8)6(9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyXEIDBIVBTQXNSI-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.88
Rot. Bonds4

About 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid

4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid (PubChem CID 155291531) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
PubChem CID155291531
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
SMILESCOCCn1cc(Cl)c(C(=O)O)n1
InChIInChI=1S/C7H9ClN2O3/c1-13-3-2-10-4-5(8)6(9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyXEIDBIVBTQXNSI-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 165467792
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618768
3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
CID 129275863
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
4-chloro-1-propan-2-ylpyrazole-3-carboxylic acid
CID 19619889
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017348
4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid
CID 19618549
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618737
4-chloro-3-iodo-1-(3-methoxypropyl)pyrazole
CID 79785533
6-chloro-1-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
CID 158881760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid (CID 155291531) is 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid is COCCn1cc(Cl)c(C(=O)O)n1.
What is the InChIKey of 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The InChIKey is XEIDBIVBTQXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-13-3-2-10-4-5(8)6(9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid has a molecular weight of 204.61 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 155291531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).