3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid

C8H11FN2O2 — CID 131165903

IUPAC3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid
SMILESCc1cnn(C)c1CC(F)C(=O)O
InChIInChI=1S/C8H11FN2O2/c1-5-4-10-11(2)7(5)3-6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyCZFQHPZJWACDGQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.69
Rot. Bonds3

About 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid

3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid (PubChem CID 131165903) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid
PubChem CID131165903
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid
SMILESCc1cnn(C)c1CC(F)C(=O)O
InChIInChI=1S/C8H11FN2O2/c1-5-4-10-11(2)7(5)3-6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyCZFQHPZJWACDGQ-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
3-(4-Bromo-1-methyl-1H-pyrazol-5-YL)propanoic acid
CID 19622634
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
1-methyl-5-propyl-1H-pyrazole-4-carboxylic acid
CID 29554820
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid?
The IUPAC name of 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid (CID 131165903) is 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid is Cc1cnn(C)c1CC(F)C(=O)O.
What is the InChIKey of 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid?
The InChIKey is CZFQHPZJWACDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-5-4-10-11(2)7(5)3-6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid?
3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid has a molecular weight of 186.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylpyrazol-5-yl)-2-fluoropropanoic acid is sourced from PubChem (CID 131165903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).