4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid

C8H7N5O2 — CID 107346001

IUPAC4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ccncn2)nc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-5-3-13(12-7(5)8(14)15)6-1-2-10-4-11-6/h1-4H,9H2,(H,14,15)
InChIKeyNTWCZPSNVJESQO-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.06
Rot. Bonds2

About 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid

4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid (PubChem CID 107346001) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
PubChem CID107346001
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ccncn2)nc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-5-3-13(12-7(5)8(14)15)6-1-2-10-4-11-6/h1-4H,9H2,(H,14,15)
InChIKeyNTWCZPSNVJESQO-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 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid (CID 107346001) is 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid is Nc1cn(-c2ccncn2)nc1C(=O)O.
What is the InChIKey of 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is NTWCZPSNVJESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-5-3-13(12-7(5)8(14)15)6-1-2-10-4-11-6/h1-4H,9H2,(H,14,15).
What are the key properties of 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid?
4-amino-1-pyrimidin-4-ylpyrazole-3-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 4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 107346001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).