2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid

C8H7N5O2 — CID 84778179

IUPAC2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid
SMILESNc1cnn(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C8H7N5O2/c9-6-3-12-13(4-6)8-10-1-5(2-11-8)7(14)15/h1-4H,9H2,(H,14,15)
InChIKeyCKJIWSNRIXHKHY-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.06
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid

2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 84778179) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid
PubChem CID84778179
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid
SMILESNc1cnn(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C8H7N5O2/c9-6-3-12-13(4-6)8-10-1-5(2-11-8)7(14)15/h1-4H,9H2,(H,14,15)
InChIKeyCKJIWSNRIXHKHY-UHFFFAOYSA-N
XLogP-0.06
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid (CID 84778179) is 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid is Nc1cnn(-c2ncc(C(=O)O)cn2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is CKJIWSNRIXHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-6-3-12-13(4-6)8-10-1-5(2-11-8)7(14)15/h1-4H,9H2,(H,14,15).
What are the key properties of 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid?
2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84778179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).