3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid

C19H12FN3O2 — CID 20854907

IUPAC3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H12FN3O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)21-16)17-10-18(19(24)25)23-22-17/h1-10H,(H,22,23)(H,24,25)
InChIKeyOFISCDQPKVAUAY-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.13
Rot. Bonds3

About 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid

3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid (PubChem CID 20854907) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid
PubChem CID20854907
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H12FN3O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)21-16)17-10-18(19(24)25)23-22-17/h1-10H,(H,22,23)(H,24,25)
InChIKeyOFISCDQPKVAUAY-UHFFFAOYSA-N
XLogP4.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid (CID 20854907) is 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is OFISCDQPKVAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)21-16)17-10-18(19(24)25)23-22-17/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid?
3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 20854907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).