2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid

C7H9ClN2O2 — CID 84770893

IUPAC2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid
SMILESCCn1ncc(CC(=O)O)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-2-10-7(8)5(4-9-10)3-6(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyOFWIMVOXOMUQOE-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.18
Rot. Bonds3

About 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid

2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid (PubChem CID 84770893) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid
PubChem CID84770893
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid
SMILESCCn1ncc(CC(=O)O)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-2-10-7(8)5(4-9-10)3-6(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyOFWIMVOXOMUQOE-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid (CID 84770893) is 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid is CCn1ncc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid?
The InChIKey is OFWIMVOXOMUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-2-10-7(8)5(4-9-10)3-6(11)12/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid?
2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid has a molecular weight of 188.61 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 84770893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).