2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid

C10H16N2O2 — CID 83831200

IUPAC2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)cc1C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-5-7(6-9(13)14)11-12(8)4/h5H,6H2,1-4H3,(H,13,14)
InChIKeyZTIWFCFQOIGFAN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds2

About 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid

2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid (PubChem CID 83831200) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
PubChem CID83831200
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)cc1C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-5-7(6-9(13)14)11-12(8)4/h5H,6H2,1-4H3,(H,13,14)
InChIKeyZTIWFCFQOIGFAN-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
CID 167374623
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288
5-tert-butyl-3-chloro-1-methylpyrazole
CID 84654525
2-(5-bromo-1-propylpyrazol-3-yl)acetic acid
CID 115046013
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
5-tert-butyl-3-fluoro-1-methylpyrazole
CID 146376811
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone
CID 115093160
(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane
CID 155787917
5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
CID 170573347

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid (CID 83831200) is 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid is Cn1nc(CC(=O)O)cc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid?
The InChIKey is ZTIWFCFQOIGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8-5-7(6-9(13)14)11-12(8)4/h5H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid?
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid has a molecular weight of 196.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 83831200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).