2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid

C9H13FN2O2 — CID 81358709

IUPAC2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)c(C)c1CC(F)C(=O)O
InChIInChI=1S/C9H13FN2O2/c1-5-7(4-8(10)9(13)14)6(2)12(3)11-5/h8H,4H2,1-3H3,(H,13,14)
InChIKeyFDSZBLIUUHRDQP-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid

2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid (PubChem CID 81358709) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
PubChem CID81358709
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)c(C)c1CC(F)C(=O)O
InChIInChI=1S/C9H13FN2O2/c1-5-7(4-8(10)9(13)14)6(2)12(3)11-5/h8H,4H2,1-3H3,(H,13,14)
InChIKeyFDSZBLIUUHRDQP-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid (CID 81358709) is 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid is Cc1nn(C)c(C)c1CC(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid?
The InChIKey is FDSZBLIUUHRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-5-7(4-8(10)9(13)14)6(2)12(3)11-5/h8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid?
2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid has a molecular weight of 200.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 81358709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).