1-methyl-4-nitropyrazole-3-carbohydrazide

C5H7N5O3 — CID 3112956

IUPAC1-methyl-4-nitropyrazole-3-carbohydrazide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NN)n1
InChIInChI=1S/C5H7N5O3/c1-9-2-3(10(12)13)4(8-9)5(11)7-6/h2H,6H2,1H3,(H,7,11)
InChIKeyFDNHAKFWMLAFFD-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.07
Rot. Bonds2

About 1-methyl-4-nitropyrazole-3-carbohydrazide

1-methyl-4-nitropyrazole-3-carbohydrazide (PubChem CID 3112956) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-methyl-4-nitropyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-4-nitropyrazole-3-carbohydrazide
PubChem CID3112956
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name1-methyl-4-nitropyrazole-3-carbohydrazide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NN)n1
InChIInChI=1S/C5H7N5O3/c1-9-2-3(10(12)13)4(8-9)5(11)7-6/h2H,6H2,1H3,(H,7,11)
InChIKeyFDNHAKFWMLAFFD-UHFFFAOYSA-N
XLogP-1.07
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.07
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-methyl-4-nitropyrazole-3-carbohydrazide?
The IUPAC name of 1-methyl-4-nitropyrazole-3-carbohydrazide (CID 3112956) is 1-methyl-4-nitropyrazole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-4-nitropyrazole-3-carbohydrazide?
The canonical SMILES for 1-methyl-4-nitropyrazole-3-carbohydrazide is Cn1cc([N+](=O)[O-])c(C(=O)NN)n1.
What is the InChIKey of 1-methyl-4-nitropyrazole-3-carbohydrazide?
The InChIKey is FDNHAKFWMLAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c1-9-2-3(10(12)13)4(8-9)5(11)7-6/h2H,6H2,1H3,(H,7,11).
What are the key properties of 1-methyl-4-nitropyrazole-3-carbohydrazide?
1-methyl-4-nitropyrazole-3-carbohydrazide has a molecular weight of 185.14 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitropyrazole-3-carbohydrazide is sourced from PubChem (CID 3112956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).