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

C10H6ClFN2O2 — CID 28948783

IUPAC5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN2O2/c11-7-3-5(1-2-8(7)12)9-6(10(15)16)4-13-14-9/h1-4H,(H,13,14)(H,15,16)
InChIKeyLRWMSVCCLRUPDR-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.57
Rot. Bonds2

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

5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 28948783) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID28948783
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN2O2/c11-7-3-5(1-2-8(7)12)9-6(10(15)16)4-13-14-9/h1-4H,(H,13,14)(H,15,16)
InChIKeyLRWMSVCCLRUPDR-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 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (CID 28948783) is 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is LRWMSVCCLRUPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-7-3-5(1-2-8(7)12)9-6(10(15)16)4-13-14-9/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-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 5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 28948783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).