4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid

C10H13BrN2O2 — CID 19620077

IUPAC4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ncc(Br)c1C1CC1
InChIInChI=1S/C10H13BrN2O2/c11-8-6-12-13(5-1-2-9(14)15)10(8)7-3-4-7/h6-7H,1-5H2,(H,14,15)
InChIKeyOQSXKKLSAWYEKZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.39
Rot. Bonds5

About 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid

4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid (PubChem CID 19620077) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
PubChem CID19620077
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ncc(Br)c1C1CC1
InChIInChI=1S/C10H13BrN2O2/c11-8-6-12-13(5-1-2-9(14)15)10(8)7-3-4-7/h6-7H,1-5H2,(H,14,15)
InChIKeyOQSXKKLSAWYEKZ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid?
The IUPAC name of 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid (CID 19620077) is 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid is O=C(O)CCCn1ncc(Br)c1C1CC1.
What is the InChIKey of 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid?
The InChIKey is OQSXKKLSAWYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-6-12-13(5-1-2-9(14)15)10(8)7-3-4-7/h6-7H,1-5H2,(H,14,15).
What are the key properties of 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid?
4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid has a molecular weight of 273.13 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 19620077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).