2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid

C11H18N2O2 — CID 105464311

IUPAC2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)Cc1c(C(C)C(=O)O)cnn1C
InChIInChI=1S/C11H18N2O2/c1-7(2)5-10-9(6-12-13(10)4)8(3)11(14)15/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyDVQSUPQUNFDBCM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.81
Rot. Bonds4

About 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid

2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid (PubChem CID 105464311) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
PubChem CID105464311
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)Cc1c(C(C)C(=O)O)cnn1C
InChIInChI=1S/C11H18N2O2/c1-7(2)5-10-9(6-12-13(10)4)8(3)11(14)15/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyDVQSUPQUNFDBCM-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-methylpropyl)pyrazol-4-ol
CID 105430134
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
CID 105464288
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol
CID 105422691
4-isocyanato-1-methyl-5-(2-methylpropyl)pyrazole
CID 83914934
2-(5-bromo-1-propan-2-ylpyrazol-4-yl)propanoic acid
CID 84806699
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423824
3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid (CID 105464311) is 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid is CC(C)Cc1c(C(C)C(=O)O)cnn1C.
What is the InChIKey of 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The InChIKey is DVQSUPQUNFDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)5-10-9(6-12-13(10)4)8(3)11(14)15/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105464311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).