2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid

C11H16N2O2 — CID 83883734

IUPAC2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(CC(=O)O)c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-2-5-13-7-9(6-10(14)15)11(12-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOFPFGQCGIIOZCC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.80
Rot. Bonds5

About 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid

2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid (PubChem CID 83883734) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid
PubChem CID83883734
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(CC(=O)O)c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-2-5-13-7-9(6-10(14)15)11(12-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOFPFGQCGIIOZCC-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid (CID 83883734) is 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid is CCCn1cc(CC(=O)O)c(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid?
The InChIKey is OFPFGQCGIIOZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-5-13-7-9(6-10(14)15)11(12-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid?
2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 83883734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).