3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C10H6ClFN2O2 — CID 64592198

IUPAC3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-7-3-5(12)1-2-6(7)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyVWKNKKDMLWVVBU-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 64592198) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID64592198
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-7-3-5(12)1-2-6(7)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyVWKNKKDMLWVVBU-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 64592198) is 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VWKNKKDMLWVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-7-3-5(12)1-2-6(7)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 240.62 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64592198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).