3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid

C13H13FN2O2 — CID 82480138

IUPAC3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
SMILESCc1[nH]nc(CCC(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-8-13(9-2-4-10(14)5-3-9)11(16-15-8)6-7-12(17)18/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyBEGQRFASIOGQSY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.54
Rot. Bonds4

About 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid

3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid (PubChem CID 82480138) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
PubChem CID82480138
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
SMILESCc1[nH]nc(CCC(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-8-13(9-2-4-10(14)5-3-9)11(16-15-8)6-7-12(17)18/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyBEGQRFASIOGQSY-UHFFFAOYSA-N
XLogP2.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71457071
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 56840672
4-[[3-(2-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71449914
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
CID 71449922
4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71457068
4-[3-(4-fluorophenyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71457070
4-(3-Fluorobenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 71458931
4-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71462459
3-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82123972
5-(3-Fluorobenzyl)-1H-pyrazole-3-carboxylic acid
CID 11557600
(4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid
CID 25125452
5-methyl-4-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid
CID 67752248

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid (CID 82480138) is 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid is Cc1[nH]nc(CCC(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The InChIKey is BEGQRFASIOGQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-13(9-2-4-10(14)5-3-9)11(16-15-8)6-7-12(17)18/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid has a molecular weight of 248.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 82480138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).