3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid

C10H17N3O2 — CID 115069519

IUPAC3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid
SMILESCC(C)(C)n1ncc(CCC(=O)O)c1N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-9(11)7(6-12-13)4-5-8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)
InChIKeySNLFWHGGDBSMSV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds3

About 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid

3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid (PubChem CID 115069519) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid
PubChem CID115069519
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid
SMILESCC(C)(C)n1ncc(CCC(=O)O)c1N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-9(11)7(6-12-13)4-5-8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)
InChIKeySNLFWHGGDBSMSV-UHFFFAOYSA-N
XLogP1.24
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.24
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-tert-butylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid (CID 115069519) is 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid is CC(C)(C)n1ncc(CCC(=O)O)c1N.
What is the InChIKey of 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid?
The InChIKey is SNLFWHGGDBSMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)13-9(11)7(6-12-13)4-5-8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15).
What are the key properties of 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid?
3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-tert-butylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).