2-(1-tert-butylpyrazol-4-yl)acetic acid

C9H14N2O2 — CID 105440099

IUPAC2-(1-tert-butylpyrazol-4-yl)acetic acid
SMILESCC(C)(C)n1cc(CC(=O)O)cn1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)11-6-7(5-10-11)4-8(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyHQGUVOLCHIIKTD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.27
Rot. Bonds2

About 2-(1-tert-butylpyrazol-4-yl)acetic acid

2-(1-tert-butylpyrazol-4-yl)acetic acid (PubChem CID 105440099) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-4-yl)acetic acid
PubChem CID105440099
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1-tert-butylpyrazol-4-yl)acetic acid
SMILESCC(C)(C)n1cc(CC(=O)O)cn1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)11-6-7(5-10-11)4-8(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyHQGUVOLCHIIKTD-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)-2-oxoacetic acid
CID 24691719
2-(1-tert-butyl-1H-pyrazol-4-yl)-2-oxoacetic acid
CID 39870883
2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 28950344
2-amino-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 43199894
2-(1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 61794143
methyl 2-(1-methyl-1H-pyrazol-4-yl)propanoate
CID 62395394
3-methyl-2-(1-methyl-1H-pyrazol-4-yl)butanoic acid
CID 62395396
2-(1-ethyl-1H-pyrazol-4-yl)-2-oxoacetic acid
CID 63812494
methyl 2-(1-methyl-1H-pyrazol-4-yl)acetate
CID 66826207
2-(1-(difluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 121256130
2-(1-ethyl-1H-pyrazol-4-yl)acetic acid
CID 61793171
2,2-difluoro-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 62394497

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-tert-butylpyrazol-4-yl)acetic acid (CID 105440099) is 2-(1-tert-butylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butylpyrazol-4-yl)acetic acid is CC(C)(C)n1cc(CC(=O)O)cn1.
What is the InChIKey of 2-(1-tert-butylpyrazol-4-yl)acetic acid?
The InChIKey is HQGUVOLCHIIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)11-6-7(5-10-11)4-8(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-tert-butylpyrazol-4-yl)acetic acid?
2-(1-tert-butylpyrazol-4-yl)acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 105440099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).