3-(4-bromopyrazol-1-yl)propanoic acid

C6H7BrN2O2 — CID 7018449

IUPAC3-(4-bromopyrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyFUQHYUVPDLMICC-UHFFFAOYSA-N
MW219.04 g/mol
LogP1.12
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)propanoic acid

3-(4-bromopyrazol-1-yl)propanoic acid (PubChem CID 7018449) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)propanoic acid
PubChem CID7018449
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name3-(4-bromopyrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyFUQHYUVPDLMICC-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)acetic acid
CID 17024755
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(4-chloro-1H-pyrazol-1-yl)propanoic acid
CID 7018451
3-(4-methyl-1H-pyrazol-1-yl)propanoic acid
CID 4179918
2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 7017278
3-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 16640639
2-(4-Bromo-1H-pyrazol-1-yl)propanoic acid
CID 16640640
methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
CID 23006107
Methyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CID 26967051
methyl 3-(4-bromo-1H-pyrazol-1-yl)-2,2-dimethylpropanoate
CID 79629172
2-(4-bromo-1H-pyrazol-1-yl)-2-fluoroacetic acid
CID 81298277
ethyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 61715295

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-bromopyrazol-1-yl)propanoic acid (CID 7018449) is 3-(4-bromopyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)propanoic acid is O=C(O)CCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)propanoic acid?
The InChIKey is FUQHYUVPDLMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11).
What are the key properties of 3-(4-bromopyrazol-1-yl)propanoic acid?
3-(4-bromopyrazol-1-yl)propanoic acid has a molecular weight of 219.04 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)propanoic acid is sourced from PubChem (CID 7018449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).