1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid

C8H12N2O3 — CID 16781597

IUPAC1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(CCO)c(C)c1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-7(8(12)13)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyGINULFSZEWKUIA-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.19
Rot. Bonds3

About 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid

1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 16781597) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID16781597
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(CCO)c(C)c1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-7(8(12)13)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyGINULFSZEWKUIA-UHFFFAOYSA-N
XLogP0.19
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 16781597) is 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(CCO)c(C)c1C(=O)O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is GINULFSZEWKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-7(8(12)13)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 16781597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).