2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid

C14H15ClN2O2 — CID 79439265

IUPAC2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cc(CC(C(=O)O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-7-10(17(2)16-9)8-12(14(18)19)11-5-3-4-6-13(11)15/h3-7,12H,8H2,1-2H3,(H,18,19)
InChIKeySKIZFJBEBJTQMD-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.79
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid

2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid (PubChem CID 79439265) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
PubChem CID79439265
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cc(CC(C(=O)O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-7-10(17(2)16-9)8-12(14(18)19)11-5-3-4-6-13(11)15/h3-7,12H,8H2,1-2H3,(H,18,19)
InChIKeySKIZFJBEBJTQMD-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-chlorophenyl)propanoic acid
CID 79439189
5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid (CID 79439265) is 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid is Cc1cc(CC(C(=O)O)c2ccccc2Cl)n(C)n1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The InChIKey is SKIZFJBEBJTQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-7-10(17(2)16-9)8-12(14(18)19)11-5-3-4-6-13(11)15/h3-7,12H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid?
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid has a molecular weight of 278.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 79439265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).