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

C12H11ClN2O2 — CID 105423713

IUPAC2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
SMILESCn1ncc(-c2ccccc2Cl)c1CC(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-15-11(6-12(16)17)9(7-14-15)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyRWCHPKBYPBJNII-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.37
Rot. Bonds3

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

2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid (PubChem CID 105423713) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
PubChem CID105423713
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
SMILESCn1ncc(-c2ccccc2Cl)c1CC(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-15-11(6-12(16)17)9(7-14-15)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyRWCHPKBYPBJNII-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
CID 105423702
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423482
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423586
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
2-[4-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 84606316
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423824
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid (CID 105423713) is 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid is Cn1ncc(-c2ccccc2Cl)c1CC(=O)O.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid?
The InChIKey is RWCHPKBYPBJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15-11(6-12(16)17)9(7-14-15)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid?
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid has a molecular weight of 250.69 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid is sourced from PubChem (CID 105423713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).