5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid

C11H19N3O2 — CID 105483141

IUPAC5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nn(C(C)(C)C)c1N
InChIInChI=1S/C11H19N3O2/c1-6(2)7-8(10(15)16)13-14(9(7)12)11(3,4)5/h6H,12H2,1-5H3,(H,15,16)
InChIKeyUVWVMMBHCBXKNX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.04
Rot. Bonds2

About 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid

5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 105483141) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID105483141
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nn(C(C)(C)C)c1N
InChIInChI=1S/C11H19N3O2/c1-6(2)7-8(10(15)16)13-14(9(7)12)11(3,4)5/h6H,12H2,1-5H3,(H,15,16)
InChIKeyUVWVMMBHCBXKNX-UHFFFAOYSA-N
XLogP2.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid (CID 105483141) is 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid is CC(C)c1c(C(=O)O)nn(C(C)(C)C)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is UVWVMMBHCBXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6(2)7-8(10(15)16)13-14(9(7)12)11(3,4)5/h6H,12H2,1-5H3,(H,15,16).
What are the key properties of 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid?
5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105483141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).