1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid

C10H9N5O5 — CID 107347104

IUPAC1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
SMILESCCn1ccnc(-n2cc([N+](=O)[O-])c(C(=O)O)n2)c1=O
InChIInChI=1S/C10H9N5O5/c1-2-13-4-3-11-8(9(13)16)14-5-6(15(19)20)7(12-14)10(17)18/h3-5H,2H2,1H3,(H,17,18)
InChIKeyYEAOGJOWZMWMBP-UHFFFAOYSA-N
MW279.21 g/mol
LogP0.06
Rot. Bonds4

About 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid

1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid (PubChem CID 107347104) has the molecular formula C10H9N5O5 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
PubChem CID107347104
Molecular FormulaC10H9N5O5
Molecular Weight279.21 g/mol
Exact Mass279.06
IUPAC Name1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
SMILESCCn1ccnc(-n2cc([N+](=O)[O-])c(C(=O)O)n2)c1=O
InChIInChI=1S/C10H9N5O5/c1-2-13-4-3-11-8(9(13)16)14-5-6(15(19)20)7(12-14)10(17)18/h3-5H,2H2,1H3,(H,17,18)
InChIKeyYEAOGJOWZMWMBP-UHFFFAOYSA-N
XLogP0.06
TPSA133.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid
CID 107346999
1-(4-ethyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347128
4-nitro-1-(6-propanoyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 107347095
1-(5-bromopyrimidin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107346975
1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid
CID 107347057
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347083
2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62929394
1-ethyl-2-nitroimidazole
CID 19802537
1,4-dinitropyrazole-3-carboxylic acid
CID 19620662
4-nitro-1-propan-2-ylpyrazole-3-carboxylic acid
CID 66509573
1-[2-(diethylamino)ethyl]-4-nitropyrazole-3-carboxylic acid
CID 107345739
1-(2-hydroxyethyl)-4-nitropyrazole-3-carboxylic acid
CID 107345471

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid (CID 107347104) is 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid is CCn1ccnc(-n2cc([N+](=O)[O-])c(C(=O)O)n2)c1=O.
What is the InChIKey of 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid?
The InChIKey is YEAOGJOWZMWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O5/c1-2-13-4-3-11-8(9(13)16)14-5-6(15(19)20)7(12-14)10(17)18/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid?
1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid has a molecular weight of 279.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid is sourced from PubChem (CID 107347104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).