2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride

C7H12ClN3O2 — CID 75481548

IUPAC2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)n1cc(N)cn1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-7(2,6(11)12)10-4-5(8)3-9-10;/h3-4H,8H2,1-2H3,(H,11,12);1H
InChIKeyOSXFKSKDJQNKRY-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.71
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride

2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride (PubChem CID 75481548) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride
PubChem CID75481548
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)n1cc(N)cn1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-7(2,6(11)12)10-4-5(8)3-9-10;/h3-4H,8H2,1-2H3,(H,11,12);1H
InChIKeyOSXFKSKDJQNKRY-UHFFFAOYSA-N
XLogP0.71
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.71
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)-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride (CID 75481548) is 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride is CC(C)(C(=O)O)n1cc(N)cn1.Cl.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride?
The InChIKey is OSXFKSKDJQNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-7(2,6(11)12)10-4-5(8)3-9-10;/h3-4H,8H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride?
2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.71, 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)-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 75481548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).