2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid

C10H16N2O2 — CID 23005849

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(C(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZERXEZOBCJYCJF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds3

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid (PubChem CID 23005849) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid
PubChem CID23005849
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(C(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZERXEZOBCJYCJF-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid (CID 23005849) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid is Cc1nn(C(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is ZERXEZOBCJYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 196.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 23005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).