5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid

C10H6ClFN2O2 — CID 115043942

IUPAC5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)n(-c2cccc(F)c2)n1
InChIInChI=1S/C10H6ClFN2O2/c11-9-5-8(10(15)16)13-14(9)7-3-1-2-6(12)4-7/h1-5H,(H,15,16)
InChIKeyNDUREPCCTQPCHL-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.36
Rot. Bonds2

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

5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 115043942) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID115043942
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)n(-c2cccc(F)c2)n1
InChIInChI=1S/C10H6ClFN2O2/c11-9-5-8(10(15)16)13-14(9)7-3-1-2-6(12)4-7/h1-5H,(H,15,16)
InChIKeyNDUREPCCTQPCHL-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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Related Compounds

5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
CID 66020792
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
1-(3-chlorophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815168
5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid
CID 58277286
1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid (CID 115043942) is 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1cc(Cl)n(-c2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is NDUREPCCTQPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-9-5-8(10(15)16)13-14(9)7-3-1-2-6(12)4-7/h1-5H,(H,15,16).
What are the key properties of 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
5-chloro-1-(3-fluorophenyl)pyrazole-3-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 5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 115043942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).