3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

C11H18N2O2 — CID 83834819

IUPAC3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1cn[nH]c1C(C)(C)C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-7(10(14)15)5-8-6-12-13-9(8)11(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyUTQHBZUZLFLOGF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.97
Rot. Bonds3

About 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 83834819) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
PubChem CID83834819
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1cn[nH]c1C(C)(C)C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-7(10(14)15)5-8-6-12-13-9(8)11(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyUTQHBZUZLFLOGF-UHFFFAOYSA-N
XLogP1.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid (CID 83834819) is 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid is CC(Cc1cn[nH]c1C(C)(C)C)C(=O)O.
What is the InChIKey of 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is UTQHBZUZLFLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(10(14)15)5-8-6-12-13-9(8)11(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83834819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).