2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid

C14H15FN2O2 — CID 166241060

IUPAC2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
SMILESCCCn1cc(-c2ccc(CC(=O)O)c(F)c2)cn1
InChIInChI=1S/C14H15FN2O2/c1-2-5-17-9-12(8-16-17)10-3-4-11(7-14(18)19)13(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,19)
InChIKeyWYPUPBWQEACIKN-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid

2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid (PubChem CID 166241060) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
PubChem CID166241060
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
SMILESCCCn1cc(-c2ccc(CC(=O)O)c(F)c2)cn1
InChIInChI=1S/C14H15FN2O2/c1-2-5-17-9-12(8-16-17)10-3-4-11(7-14(18)19)13(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,19)
InChIKeyWYPUPBWQEACIKN-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid (CID 166241060) is 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid is CCCn1cc(-c2ccc(CC(=O)O)c(F)c2)cn1.
What is the InChIKey of 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid?
The InChIKey is WYPUPBWQEACIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-5-17-9-12(8-16-17)10-3-4-11(7-14(18)19)13(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,19).
What are the key properties of 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid?
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid has a molecular weight of 262.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid is sourced from PubChem (CID 166241060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).