2-(4-chloropyrazol-1-yl)acetic acid

C5H5ClN2O2 — CID 6485340

IUPAC2-(4-chloropyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(Cl)cn1
InChIInChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
InChIKeyKPXIVTIAZUNIOR-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.62
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)acetic acid

2-(4-chloropyrazol-1-yl)acetic acid (PubChem CID 6485340) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)acetic acid
PubChem CID6485340
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name2-(4-chloropyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(Cl)cn1
InChIInChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
InChIKeyKPXIVTIAZUNIOR-UHFFFAOYSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloropyrazol-1-yl)acetic acid (CID 6485340) is 2-(4-chloropyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)acetic acid is O=C(O)Cn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)acetic acid?
The InChIKey is KPXIVTIAZUNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10).
What are the key properties of 2-(4-chloropyrazol-1-yl)acetic acid?
2-(4-chloropyrazol-1-yl)acetic acid has a molecular weight of 160.56 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)acetic acid is sourced from PubChem (CID 6485340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).