3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid

C8H11FN2O3 — CID 83095140

IUPAC3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid
SMILESCc1nn(C)cc1C(O)C(F)C(=O)O
InChIInChI=1S/C8H11FN2O3/c1-4-5(3-11(2)10-4)7(12)6(9)8(13)14/h3,6-7,12H,1-2H3,(H,13,14)
InChIKeyWVPWHGIXHQKECM-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.18
Rot. Bonds3

About 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid

3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid (PubChem CID 83095140) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid
PubChem CID83095140
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid
SMILESCc1nn(C)cc1C(O)C(F)C(=O)O
InChIInChI=1S/C8H11FN2O3/c1-4-5(3-11(2)10-4)7(12)6(9)8(13)14/h3,6-7,12H,1-2H3,(H,13,14)
InChIKeyWVPWHGIXHQKECM-UHFFFAOYSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid (CID 83095140) is 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid is Cc1nn(C)cc1C(O)C(F)C(=O)O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid?
The InChIKey is WVPWHGIXHQKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-4-5(3-11(2)10-4)7(12)6(9)8(13)14/h3,6-7,12H,1-2H3,(H,13,14).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid?
3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid has a molecular weight of 202.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 83095140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).