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

C10H6Cl2N2O2 — CID 56762534

IUPAC4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyHRUBUPUHHQDACH-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.08
Rot. Bonds2

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

4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 56762534) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID56762534
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyHRUBUPUHHQDACH-UHFFFAOYSA-N
XLogP3.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CID 56762534) is 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HRUBUPUHHQDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56762534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).