3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide

C6H9BrN2O2 — CID 175345589

IUPAC3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
SMILESBr.O=C(O)CCc1ccn[nH]1
InChIInChI=1S/C6H8N2O2.BrH/c9-6(10)2-1-5-3-4-7-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H
InChIKeyUKOWHBKFOFWWMR-UHFFFAOYSA-N
MW221.05 g/mol
LogP1.00
Rot. Bonds3

About 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide

3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide (PubChem CID 175345589) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
PubChem CID175345589
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
SMILESBr.O=C(O)CCc1ccn[nH]1
InChIInChI=1S/C6H8N2O2.BrH/c9-6(10)2-1-5-3-4-7-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H
InChIKeyUKOWHBKFOFWWMR-UHFFFAOYSA-N
XLogP1.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
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5-(2-bromoethyl)-1H-pyrazole
CID 565479
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
3-(1H-pyrazol-5-yl)propanenitrile
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methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
CID 107831323
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
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2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
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N-methyl-2-(1H-pyrazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide?
The IUPAC name of 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide (CID 175345589) is 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide?
The canonical SMILES for 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide is Br.O=C(O)CCc1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide?
The InChIKey is UKOWHBKFOFWWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.BrH/c9-6(10)2-1-5-3-4-7-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H.
What are the key properties of 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide?
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide has a molecular weight of 221.05 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide is sourced from PubChem (CID 175345589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).