1-propan-2-ylpyrazole-4-carboxylic acid

C7H10N2O2 — CID 784155

IUPAC1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyVGEBYDKBJHWBGS-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.16
Rot. Bonds2

About 1-propan-2-ylpyrazole-4-carboxylic acid

1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 784155) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID784155
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyVGEBYDKBJHWBGS-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-propan-2-ylpyrazole-4-carboxylic acid (CID 784155) is 1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1cc(C(=O)O)cn1.
What is the InChIKey of 1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is VGEBYDKBJHWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 1-propan-2-ylpyrazole-4-carboxylic acid?
1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 784155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).