3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C12H11FN2O2 — CID 117340012

IUPAC3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCc1ccc(F)c(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C12H11FN2O2/c1-2-7-3-4-9(13)8(5-7)10-6-11(12(16)17)15-14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDQMRREAKYLHKSW-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.48
Rot. Bonds3

About 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117340012) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117340012
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCc1ccc(F)c(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C12H11FN2O2/c1-2-7-3-4-9(13)8(5-7)10-6-11(12(16)17)15-14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDQMRREAKYLHKSW-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117498031
methyl 3-(5-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 82635283
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 117373137
methyl 3-(3,4-difluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 172639789
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(4-carboxy-2,3-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117423812

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 117340012) is 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid is CCc1ccc(F)c(-c2cc(C(=O)O)[nH]n2)c1.
What is the InChIKey of 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DQMRREAKYLHKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-7-3-4-9(13)8(5-7)10-6-11(12(16)17)15-14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117340012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).