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

C7H11N3O2 — CID 50896608

IUPAC2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(N)cn1
InChIInChI=1S/C7H11N3O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,8H2,1-2H3,(H,11,12)
InChIKeyCQXZLWDLHZXRRO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.28
Rot. Bonds2

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

2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 50896608) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid
PubChem CID50896608
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(N)cn1
InChIInChI=1S/C7H11N3O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,8H2,1-2H3,(H,11,12)
InChIKeyCQXZLWDLHZXRRO-UHFFFAOYSA-N
XLogP0.28
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.28
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?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid (CID 50896608) is 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is CQXZLWDLHZXRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,8H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid?
2-(4-aminopyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.28, 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 is sourced from PubChem (CID 50896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).