3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride

C6H10ClN3O2 — CID 90482953

IUPAC3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
SMILESCl.Nc1ccn(CCC(=O)O)n1
InChIInChI=1S/C6H9N3O2.ClH/c7-5-1-3-9(8-5)4-2-6(10)11;/h1,3H,2,4H2,(H2,7,8)(H,10,11);1H
InChIKeyMWECEBCHSWXLFU-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.36
Rot. Bonds3

About 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride

3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride (PubChem CID 90482953) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
PubChem CID90482953
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
SMILESCl.Nc1ccn(CCC(=O)O)n1
InChIInChI=1S/C6H9N3O2.ClH/c7-5-1-3-9(8-5)4-2-6(10)11;/h1,3H,2,4H2,(H2,7,8)(H,10,11);1H
InChIKeyMWECEBCHSWXLFU-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride (CID 90482953) is 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride is Cl.Nc1ccn(CCC(=O)O)n1.
What is the InChIKey of 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is MWECEBCHSWXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-5-1-3-9(8-5)4-2-6(10)11;/h1,3H,2,4H2,(H2,7,8)(H,10,11);1H.
What are the key properties of 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride?
3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 90482953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).