1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid

C11H11N3O2 — CID 82376222

IUPAC1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-2-14-10(11(15)16)7-9(13-14)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyRMMOVKJTYGRESU-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.66
Rot. Bonds3

About 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid

1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid (PubChem CID 82376222) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
PubChem CID82376222
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-2-14-10(11(15)16)7-9(13-14)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyRMMOVKJTYGRESU-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid (CID 82376222) is 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid is CCn1nc(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The InChIKey is RMMOVKJTYGRESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-14-10(11(15)16)7-9(13-14)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid?
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82376222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).