5-amino-1-propan-2-ylpyrazole-4-carboxylic acid

C7H11N3O2 — CID 67124065

IUPAC5-amino-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1N
InChIInChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12)
InChIKeyIAJRTGABDFKUSX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.74
Rot. Bonds2

About 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid

5-amino-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 67124065) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID67124065
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1N
InChIInChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12)
InChIKeyIAJRTGABDFKUSX-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid (CID 67124065) is 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1ncc(C(=O)O)c1N.
What is the InChIKey of 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is IAJRTGABDFKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12).
What are the key properties of 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid?
5-amino-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67124065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).