2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid

C9H15N3O2 — CID 63277332

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid
SMILESCC(C)(C)c1cc(N)n(CC(=O)O)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14/h4H,5,10H2,1-3H3,(H,13,14)
InChIKeyYIQOASNZZWAIIF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid

2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid (PubChem CID 63277332) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid
PubChem CID63277332
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid
SMILESCC(C)(C)c1cc(N)n(CC(=O)O)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14/h4H,5,10H2,1-3H3,(H,13,14)
InChIKeyYIQOASNZZWAIIF-UHFFFAOYSA-N
XLogP0.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid (CID 63277332) is 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid is CC(C)(C)c1cc(N)n(CC(=O)O)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid?
The InChIKey is YIQOASNZZWAIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14/h4H,5,10H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid?
2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 63277332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).