5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

C5H7N5O3 — CID 4211175

IUPAC5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
SMILESCc1[nH]nc(C(=O)NN)c1[N+](=O)[O-]
InChIInChI=1S/C5H7N5O3/c1-2-4(10(12)13)3(9-8-2)5(11)7-6/h6H2,1H3,(H,7,11)(H,8,9)
InChIKeyUCDBUSXXLAGFRT-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.77
Rot. Bonds2

About 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide (PubChem CID 4211175) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
PubChem CID4211175
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
SMILESCc1[nH]nc(C(=O)NN)c1[N+](=O)[O-]
InChIInChI=1S/C5H7N5O3/c1-2-4(10(12)13)3(9-8-2)5(11)7-6/h6H2,1H3,(H,7,11)(H,8,9)
InChIKeyUCDBUSXXLAGFRT-UHFFFAOYSA-N
XLogP-0.77
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide (CID 4211175) is 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide is Cc1[nH]nc(C(=O)NN)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide?
The InChIKey is UCDBUSXXLAGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c1-2-4(10(12)13)3(9-8-2)5(11)7-6/h6H2,1H3,(H,7,11)(H,8,9).
What are the key properties of 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide?
5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide has a molecular weight of 185.14 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 4211175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).