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

C19H17FN2O2 — CID 71460739

IUPAC5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2/c1-2-17-16(18(19(23)24)22-21-17)11-12-4-3-5-14(10-12)13-6-8-15(20)9-7-13/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyLYYXUGVOOURUJJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.07
Rot. Bonds5

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

5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 71460739) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID71460739
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2/c1-2-17-16(18(19(23)24)22-21-17)11-12-4-3-5-14(10-12)13-6-8-15(20)9-7-13/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyLYYXUGVOOURUJJ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid (CID 71460739) is 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid is CCc1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is LYYXUGVOOURUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-17-16(18(19(23)24)22-21-17)11-12-4-3-5-14(10-12)13-6-8-15(20)9-7-13/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid?
5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[[3-(4-fluorophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71460739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).