sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate

C9H7N4NaO2 — CID 121302296

IUPACsodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESNc1c(C(=O)[O-])cnn1-c1cccnc1.[Na+]
InChIInChI=1S/C9H8N4O2.Na/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6;/h1-5H,10H2,(H,14,15);/q;+1/p-1
InChIKeyDRPVDYORSVGGFU-UHFFFAOYSA-M
MW226.17 g/mol
LogP-3.78
Rot. Bonds2

About sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate

sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 121302296) has the molecular formula C9H7N4NaO2 and a molecular weight of 226.17 g/mol. Its IUPAC name is sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namesodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID121302296
Molecular FormulaC9H7N4NaO2
Molecular Weight226.17 g/mol
Exact Mass226.05
IUPAC Namesodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESNc1c(C(=O)[O-])cnn1-c1cccnc1.[Na+]
InChIInChI=1S/C9H8N4O2.Na/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6;/h1-5H,10H2,(H,14,15);/q;+1/p-1
InChIKeyDRPVDYORSVGGFU-UHFFFAOYSA-M
XLogP-3.78
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 5-3.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate (CID 121302296) is sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate is Nc1c(C(=O)[O-])cnn1-c1cccnc1.[Na+].
What is the InChIKey of sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is DRPVDYORSVGGFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N4O2.Na/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6;/h1-5H,10H2,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate?
sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 226.17 g/mol, XLogP of -3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 121302296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).