4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid

C19H17FN2O2 — CID 71460734

IUPAC4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22(2)21-12)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyDDWSNNLBJQKTEL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.82
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid

4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid (PubChem CID 71460734) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid
PubChem CID71460734
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22(2)21-12)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyDDWSNNLBJQKTEL-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid (CID 71460734) is 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid is Cc1nn(C)c(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid?
The InChIKey is DDWSNNLBJQKTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22(2)21-12)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid?
4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 71460734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).