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

C10H6ClFN2O2 — CID 83868932

IUPAC4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(Cl)cnn1-c1ccccc1F
InChIInChI=1S/C10H6ClFN2O2/c11-6-5-13-14(9(6)10(15)16)8-4-2-1-3-7(8)12/h1-5H,(H,15,16)
InChIKeyGJCLRFYZPSZXRN-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.36
Rot. Bonds2

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

4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 83868932) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID83868932
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(Cl)cnn1-c1ccccc1F
InChIInChI=1S/C10H6ClFN2O2/c11-6-5-13-14(9(6)10(15)16)8-4-2-1-3-7(8)12/h1-5H,(H,15,16)
InChIKeyGJCLRFYZPSZXRN-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid (CID 83868932) is 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1c(Cl)cnn1-c1ccccc1F.
What is the InChIKey of 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is GJCLRFYZPSZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-6-5-13-14(9(6)10(15)16)8-4-2-1-3-7(8)12/h1-5H,(H,15,16).
What are the key properties of 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 240.62 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83868932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).