2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride

C5H9Cl2N3O2 — CID 67075935

IUPAC2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C5H7N3O2.2ClH/c6-4-1-7-8(2-4)3-5(9)10;;/h1-2H,3,6H2,(H,9,10);2*1H
InChIKeyVZGOEOIGWITZPI-UHFFFAOYSA-N
MW214.05 g/mol
LogP0.39
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride

2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride (PubChem CID 67075935) has the molecular formula C5H9Cl2N3O2 and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride
PubChem CID67075935
Molecular FormulaC5H9Cl2N3O2
Molecular Weight214.05 g/mol
Exact Mass213.01
IUPAC Name2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C5H7N3O2.2ClH/c6-4-1-7-8(2-4)3-5(9)10;;/h1-2H,3,6H2,(H,9,10);2*1H
InChIKeyVZGOEOIGWITZPI-UHFFFAOYSA-N
XLogP0.39
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride (CID 67075935) is 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride is Cl.Cl.Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride?
The InChIKey is VZGOEOIGWITZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.2ClH/c6-4-1-7-8(2-4)3-5(9)10;;/h1-2H,3,6H2,(H,9,10);2*1H.
What are the key properties of 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride?
2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride has a molecular weight of 214.05 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 67075935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).