2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid

C14H15FN2O2 — CID 66098697

IUPAC2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
SMILESCCCn1ncc(-c2ccc(F)c(C(=O)O)c2)c1C
InChIInChI=1S/C14H15FN2O2/c1-3-6-17-9(2)12(8-16-17)10-4-5-13(15)11(7-10)14(18)19/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyOEDLYFSPZZVEJX-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.11
Rot. Bonds4

About 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid

2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid (PubChem CID 66098697) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
PubChem CID66098697
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
SMILESCCCn1ncc(-c2ccc(F)c(C(=O)O)c2)c1C
InChIInChI=1S/C14H15FN2O2/c1-3-6-17-9(2)12(8-16-17)10-4-5-13(15)11(7-10)14(18)19/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyOEDLYFSPZZVEJX-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
CID 122568449
4-methyl-5-(5-methyl-1-propylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 79997584
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-fluorobenzoic acid
CID 63805510
N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66099332
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 114012248
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
2-bromo-5-(2-propylpyrazol-3-yl)benzoic acid
CID 114026413
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid?
The IUPAC name of 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid (CID 66098697) is 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid is CCCn1ncc(-c2ccc(F)c(C(=O)O)c2)c1C.
What is the InChIKey of 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid?
The InChIKey is OEDLYFSPZZVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-6-17-9(2)12(8-16-17)10-4-5-13(15)11(7-10)14(18)19/h4-5,7-8H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid?
2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid has a molecular weight of 262.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 66098697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).