3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid

C14H15ClN2O2 — CID 105423932

IUPAC3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1c(-c2ccccc2Cl)cnn1C)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyJFDXLJRHSBMBJZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.00
Rot. Bonds4

About 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid

3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid (PubChem CID 105423932) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
PubChem CID105423932
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1c(-c2ccccc2Cl)cnn1C)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyJFDXLJRHSBMBJZ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423824
1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
CID 105423702
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
3-[[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228298
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117362627
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
CID 103458258

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid (CID 105423932) is 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid is CC(Cc1c(-c2ccccc2Cl)cnn1C)C(=O)O.
What is the InChIKey of 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The InChIKey is JFDXLJRHSBMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid has a molecular weight of 278.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 105423932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).