5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid

C8H12N2O3 — CID 136574698

IUPAC5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1CCO
InChIInChI=1S/C8H12N2O3/c1-2-6-5-7(8(12)13)9-10(6)3-4-11/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyCNHLADHNNJXREH-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.14
Rot. Bonds4

About 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid

5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid (PubChem CID 136574698) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
PubChem CID136574698
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1CCO
InChIInChI=1S/C8H12N2O3/c1-2-6-5-7(8(12)13)9-10(6)3-4-11/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyCNHLADHNNJXREH-UHFFFAOYSA-N
XLogP0.14
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid (CID 136574698) is 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid is CCc1cc(C(=O)O)nn1CCO.
What is the InChIKey of 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The InChIKey is CNHLADHNNJXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-6-5-7(8(12)13)9-10(6)3-4-11/h5,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 136574698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).