1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid

C14H9FN2O3 — CID 168527856

IUPAC1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(-c3ccco3)cc2F)n1
InChIInChI=1S/C14H9FN2O3/c15-10-8-9(13-2-1-7-20-13)3-4-12(10)17-6-5-11(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyNOUKDFTYNRZBAH-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid

1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 168527856) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
PubChem CID168527856
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(-c3ccco3)cc2F)n1
InChIInChI=1S/C14H9FN2O3/c15-10-8-9(13-2-1-7-20-13)3-4-12(10)17-6-5-11(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyNOUKDFTYNRZBAH-UHFFFAOYSA-N
XLogP2.97
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid (CID 168527856) is 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(-c3ccco3)cc2F)n1.
What is the InChIKey of 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is NOUKDFTYNRZBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-10-8-9(13-2-1-7-20-13)3-4-12(10)17-6-5-11(16-17)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid?
1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 168527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).