4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C19H17FN2O2 — CID 71457075

IUPAC4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22-21-12)11-4-13-2-5-14(6-3-13)15-7-9-16(20)10-8-15/h2-3,5-10H,4,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyAACWQSNBYLQWIF-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.01
Rot. Bonds5

About 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 71457075) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID71457075
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22-21-12)11-4-13-2-5-14(6-3-13)15-7-9-16(20)10-8-15/h2-3,5-10H,4,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyAACWQSNBYLQWIF-UHFFFAOYSA-N
XLogP4.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 71457075) is 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is AACWQSNBYLQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22-21-12)11-4-13-2-5-14(6-3-13)15-7-9-16(20)10-8-15/h2-3,5-10H,4,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).