2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid

C19H18N2O2 — CID 82039922

IUPAC2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-19(2,18(22)23)16-10-8-14(9-11-16)15-12-20-21(13-15)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyWMOSDYDNKKDIHW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.90
Rot. Bonds4

About 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid

2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid (PubChem CID 82039922) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
PubChem CID82039922
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-19(2,18(22)23)16-10-8-14(9-11-16)15-12-20-21(13-15)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyWMOSDYDNKKDIHW-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2-methyl-2-[4-(2-methyltriazol-4-yl)phenyl]propanoic acid
CID 167867732
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
3-[4-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404836
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid (CID 82039922) is 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(-c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid?
The InChIKey is WMOSDYDNKKDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2,18(22)23)16-10-8-14(9-11-16)15-12-20-21(13-15)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid?
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid has a molecular weight of 306.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid is sourced from PubChem (CID 82039922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).