4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C17H13FN2O2 — CID 71457070

IUPAC4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1-c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O2/c1-10-15(16(17(21)22)20-19-10)13-4-2-3-12(9-13)11-5-7-14(18)8-6-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyTYOFAJLQIPLUCJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.89
Rot. Bonds3

About 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 71457070) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID71457070
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1-c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O2/c1-10-15(16(17(21)22)20-19-10)13-4-2-3-12(9-13)11-5-7-14(18)8-6-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyTYOFAJLQIPLUCJ-UHFFFAOYSA-N
XLogP3.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 71457070) is 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1-c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is TYOFAJLQIPLUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10-15(16(17(21)22)20-19-10)13-4-2-3-12(9-13)11-5-7-14(18)8-6-11/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71457070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).