5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid

C7H9ClN2O2 — CID 2757509

IUPAC5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)c(Cl)c1C(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-3-4-5(7(11)12)6(8)10(2)9-4/h3H2,1-2H3,(H,11,12)
InChIKeyWAJBFTAZDQDTDB-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.33
Rot. Bonds2

About 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid

5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid (PubChem CID 2757509) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid
PubChem CID2757509
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)c(Cl)c1C(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-3-4-5(7(11)12)6(8)10(2)9-4/h3H2,1-2H3,(H,11,12)
InChIKeyWAJBFTAZDQDTDB-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid (CID 2757509) is 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid is CCc1nn(C)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid?
The InChIKey is WAJBFTAZDQDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-3-4-5(7(11)12)6(8)10(2)9-4/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid?
5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid has a molecular weight of 188.61 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 2757509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).