potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate

C12H9KN4O5 — CID 59235574

IUPACpotassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate
SMILESNC(=O)c1cnn(-c2cc(C(=O)[O-])cc(C(=O)O)c2)c1N.[K+]
InChIInChI=1S/C12H10N4O5.K/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21;/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21);/q;+1/p-1
InChIKeyFQSOFEVPHIFIPO-UHFFFAOYSA-M
MW328.33 g/mol
LogP-4.38
Rot. Bonds4

About potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate

potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate (PubChem CID 59235574) has the molecular formula C12H9KN4O5 and a molecular weight of 328.33 g/mol. Its IUPAC name is potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate.

Molecular Properties

Compound Namepotassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate
PubChem CID59235574
Molecular FormulaC12H9KN4O5
Molecular Weight328.33 g/mol
Exact Mass328.02
IUPAC Namepotassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate
SMILESNC(=O)c1cnn(-c2cc(C(=O)[O-])cc(C(=O)O)c2)c1N.[K+]
InChIInChI=1S/C12H10N4O5.K/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21;/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21);/q;+1/p-1
InChIKeyFQSOFEVPHIFIPO-UHFFFAOYSA-M
XLogP-4.38
TPSA164.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-4.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate?
The IUPAC name of potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate (CID 59235574) is potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate.
What is the SMILES notation for potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate?
The canonical SMILES for potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate is NC(=O)c1cnn(-c2cc(C(=O)[O-])cc(C(=O)O)c2)c1N.[K+].
What is the InChIKey of potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate?
The InChIKey is FQSOFEVPHIFIPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N4O5.K/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21;/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21);/q;+1/p-1.
What are the key properties of potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate?
potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate has a molecular weight of 328.33 g/mol, XLogP of -4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(5-amino-4-carbamoylpyrazol-1-yl)-5-carboxybenzoate is sourced from PubChem (CID 59235574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).