2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid

C8H9BrN2O2 — CID 19576771

IUPAC2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(Br)c(C2CC2)n1
InChIInChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
InChIKeyDLIOLRMWZAEYPN-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.61
Rot. Bonds3

About 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid

2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid (PubChem CID 19576771) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid
PubChem CID19576771
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(Br)c(C2CC2)n1
InChIInChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
InChIKeyDLIOLRMWZAEYPN-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid (CID 19576771) is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid is O=C(O)Cn1cc(Br)c(C2CC2)n1.
What is the InChIKey of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid?
The InChIKey is DLIOLRMWZAEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13).
What are the key properties of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid?
2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 19576771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).