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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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
methyl 3-oxo-3-(trimethyl-1H-pyrazol-4-yl)propanoate
CID 75356286
2-(1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 105440103
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 116818937

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).