4-chloro-1-ethylpyrazole-5-carboxylic acid

C6H7ClN2O2 — CID 589707

IUPAC4-chloro-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(Cl)c1C(=O)O
InChIInChI=1S/C6H7ClN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11)
InChIKeyZGZXVMWVZJUGBM-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.25
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-5-carboxylic acid

4-chloro-1-ethylpyrazole-5-carboxylic acid (PubChem CID 589707) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-5-carboxylic acid
PubChem CID589707
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name4-chloro-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(Cl)c1C(=O)O
InChIInChI=1S/C6H7ClN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11)
InChIKeyZGZXVMWVZJUGBM-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H-pyrazole-5-carboxylic acid
CID 643158
3-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
CID 18970459
1-Ethyl-1H-pyrazole-5-carboxylic acid
CID 565702
4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid
CID 619777
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
CID 673686
4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
CID 670823
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid
CID 673687
1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 3150947
4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
CID 594685
1-butyl-1H-pyrazole-5-carboxylic acid
CID 19619898
4-bromo-1-ethyl-1H-pyrazole-5-carboxylic acid
CID 606054
1,4-dimethyl-1H-pyrazole-5-carboxylic acid
CID 643150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-chloro-1-ethylpyrazole-5-carboxylic acid (CID 589707) is 4-chloro-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-ethylpyrazole-5-carboxylic acid is CCn1ncc(Cl)c1C(=O)O.
What is the InChIKey of 4-chloro-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is ZGZXVMWVZJUGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 4-chloro-1-ethylpyrazole-5-carboxylic acid?
4-chloro-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 174.59 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 589707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).