3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid

C11H19N3O2 — CID 115069542

IUPAC3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)(C)Cn1ncc(CCC(=O)O)c1N
InChIInChI=1S/C11H19N3O2/c1-11(2,3)7-14-10(12)8(6-13-14)4-5-9(15)16/h6H,4-5,7,12H2,1-3H3,(H,15,16)
InChIKeyZGQRVIKNWWLWGT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.53
Rot. Bonds4

About 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid

3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid (PubChem CID 115069542) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid
PubChem CID115069542
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)(C)Cn1ncc(CCC(=O)O)c1N
InChIInChI=1S/C11H19N3O2/c1-11(2,3)7-14-10(12)8(6-13-14)4-5-9(15)16/h6H,4-5,7,12H2,1-3H3,(H,15,16)
InChIKeyZGQRVIKNWWLWGT-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid (CID 115069542) is 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid is CC(C)(C)Cn1ncc(CCC(=O)O)c1N.
What is the InChIKey of 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid?
The InChIKey is ZGQRVIKNWWLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)7-14-10(12)8(6-13-14)4-5-9(15)16/h6H,4-5,7,12H2,1-3H3,(H,15,16).
What are the key properties of 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid?
3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 115069542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).