1-ethyl-4-nitropyrazole-3-carbohydrazide

C6H9N5O3 — CID 7021008

IUPAC1-ethyl-4-nitropyrazole-3-carbohydrazide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)NN)n1
InChIInChI=1S/C6H9N5O3/c1-2-10-3-4(11(13)14)5(9-10)6(12)8-7/h3H,2,7H2,1H3,(H,8,12)
InChIKeyYJIARCRRZCGUNL-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.59
Rot. Bonds3

About 1-ethyl-4-nitropyrazole-3-carbohydrazide

1-ethyl-4-nitropyrazole-3-carbohydrazide (PubChem CID 7021008) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1-ethyl-4-nitropyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-4-nitropyrazole-3-carbohydrazide
PubChem CID7021008
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name1-ethyl-4-nitropyrazole-3-carbohydrazide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)NN)n1
InChIInChI=1S/C6H9N5O3/c1-2-10-3-4(11(13)14)5(9-10)6(12)8-7/h3H,2,7H2,1H3,(H,8,12)
InChIKeyYJIARCRRZCGUNL-UHFFFAOYSA-N
XLogP-0.59
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitropyrazole-3-carbohydrazide?
The IUPAC name of 1-ethyl-4-nitropyrazole-3-carbohydrazide (CID 7021008) is 1-ethyl-4-nitropyrazole-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-4-nitropyrazole-3-carbohydrazide?
The canonical SMILES for 1-ethyl-4-nitropyrazole-3-carbohydrazide is CCn1cc([N+](=O)[O-])c(C(=O)NN)n1.
What is the InChIKey of 1-ethyl-4-nitropyrazole-3-carbohydrazide?
The InChIKey is YJIARCRRZCGUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-2-10-3-4(11(13)14)5(9-10)6(12)8-7/h3H,2,7H2,1H3,(H,8,12).
What are the key properties of 1-ethyl-4-nitropyrazole-3-carbohydrazide?
1-ethyl-4-nitropyrazole-3-carbohydrazide has a molecular weight of 199.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitropyrazole-3-carbohydrazide is sourced from PubChem (CID 7021008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).