4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid

C10H15BrN2O2 — CID 83904327

IUPAC4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
SMILESCC(C)n1ncc(Br)c1CCCC(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPJNWTIAYXQTWFW-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.63
Rot. Bonds5

About 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid

4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid (PubChem CID 83904327) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
PubChem CID83904327
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
SMILESCC(C)n1ncc(Br)c1CCCC(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPJNWTIAYXQTWFW-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid (CID 83904327) is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The canonical SMILES for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid is CC(C)n1ncc(Br)c1CCCC(=O)O.
What is the InChIKey of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The InChIKey is PJNWTIAYXQTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid has a molecular weight of 275.15 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid is sourced from PubChem (CID 83904327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).