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

C10H7ClN2O2 — CID 738819

IUPAC3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyWYTQCLKZYRFUIQ-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.43
Rot. Bonds2

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

3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 738819) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID738819
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyWYTQCLKZYRFUIQ-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 644585
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CID 818267
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CID 940540
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CID 2771349
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CID 4274816
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CID 4598704
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CID 11776293
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CID 738819) is 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is WYTQCLKZYRFUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).