3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H5ClF2N2O3 — CID 136932522

IUPAC3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)n[nH]1
InChIInChI=1S/C10H5ClF2N2O3/c11-4-1-3(7(12)8(13)9(4)16)5-2-6(10(17)18)15-14-5/h1-2,16H,(H,14,15)(H,17,18)
InChIKeyDHKYEEFSQUTAGX-UHFFFAOYSA-N
MW274.61 g/mol
LogP2.41
Rot. Bonds2

About 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136932522) has the molecular formula C10H5ClF2N2O3 and a molecular weight of 274.61 g/mol. Its IUPAC name is 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136932522
Molecular FormulaC10H5ClF2N2O3
Molecular Weight274.61 g/mol
Exact Mass274.00
IUPAC Name3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)n[nH]1
InChIInChI=1S/C10H5ClF2N2O3/c11-4-1-3(7(12)8(13)9(4)16)5-2-6(10(17)18)15-14-5/h1-2,16H,(H,14,15)(H,17,18)
InChIKeyDHKYEEFSQUTAGX-UHFFFAOYSA-N
XLogP2.41
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.61
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136932522) is 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)n[nH]1.
What is the InChIKey of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DHKYEEFSQUTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O3/c11-4-1-3(7(12)8(13)9(4)16)5-2-6(10(17)18)15-14-5/h1-2,16H,(H,14,15)(H,17,18).
What are the key properties of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 274.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136932522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).