3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid

C11H11N5O3 — CID 63262328

IUPAC3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3/c1-5-7(6(2)16-15-5)10(17)14-9-8(11(18)19)12-3-4-13-9/h3-4H,1-2H3,(H,15,16)(H,18,19)(H,13,14,17)
InChIKeyNRIVRDYLPBAXMG-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.77
Rot. Bonds3

About 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262328) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262328
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3/c1-5-7(6(2)16-15-5)10(17)14-9-8(11(18)19)12-3-4-13-9/h3-4H,1-2H3,(H,15,16)(H,18,19)(H,13,14,17)
InChIKeyNRIVRDYLPBAXMG-UHFFFAOYSA-N
XLogP0.77
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63262328) is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid is Cc1n[nH]c(C)c1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NRIVRDYLPBAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-5-7(6(2)16-15-5)10(17)14-9-8(11(18)19)12-3-4-13-9/h3-4H,1-2H3,(H,15,16)(H,18,19)(H,13,14,17).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).