2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid

C8H12N2O3 — CID 132990753

IUPAC2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid
SMILESCOc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C8H12N2O3/c1-8(2,7(11)12)10-5-6(13-3)4-9-10/h4-5H,1-3H3,(H,11,12)
InChIKeyQKTBTBGVKARAPE-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.71
Rot. Bonds3

About 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid

2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 132990753) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid
PubChem CID132990753
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid
SMILESCOc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C8H12N2O3/c1-8(2,7(11)12)10-5-6(13-3)4-9-10/h4-5H,1-3H3,(H,11,12)
InChIKeyQKTBTBGVKARAPE-UHFFFAOYSA-N
XLogP0.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]propanoic acid
CID 132990752
2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
CID 132990749
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
CID 13206777
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536
2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696464
2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoic acid
CID 131750013
2-methyl-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]propanoic acid
CID 166242412
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid (CID 132990753) is 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid is COc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is QKTBTBGVKARAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,7(11)12)10-5-6(13-3)4-9-10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid?
2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 132990753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).